Pc(monome(11,5)/monome(11,5)) (C50H89NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCCCC)C)C

InChI

InChI=1S/C50H88NO10P/c1-8-10-24-30-44-38-42(3)47(59-44)32-26-20-16-12-14-18-22-28-34-49(52)56-40-46(41-58-62(54,55)57-37-36-51(5,6)7)61-50(53)35-29-23-19-15-13-17-21-27-33-48-43(4)39-45(60-48)31-25-11-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1

InChIKey

MWWHAYNURFDNFT-UHFFFAOYSA-O

Compound name

2-[2,3-bis[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	895.629716	296.0
[M+Na]+	917.611658	306.2
[M-H]-	893.615164	294.6
[M+NH4]+	912.656263	310.0
[M+K]+	933.585598	304.7
[M+H-H2O]+	877.619700	288.8
[M+HCOO]-	939.620641	313.8
[M+CH3COO]-	953.636291	310.3
[M+Na-2H]-	915.597106	275.5
[M]+	894.62189142	299.8
[M]-	894.62298858	299.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

895.629716

296.0

[M+Na]+

917.611658

306.2

[M-H]-

893.615164

294.6

[M+NH4]+

912.656263

310.0

[M+K]+

933.585598

304.7

[M+H-H2O]+

877.619700

288.8

[M+HCOO]-

939.620641

313.8

[M+CH3COO]-

953.636291

310.3

[M+Na-2H]-

915.597106

275.5

[M]+

894.62189142

299.8

[M]-

894.62298858

299.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pc(monome(11,5)/monome(11,5))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe