PubChemLite - Pc(dime(11,5)/dime(9,5)) (C50H89NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C)C

InChI

InChI=1S/C50H88NO10P/c1-10-12-24-30-45-40(3)42(5)47(60-45)32-26-20-16-14-15-17-22-28-34-49(52)56-38-44(39-58-62(54,55)57-37-36-51(7,8)9)59-50(53)35-29-23-19-18-21-27-33-48-43(6)41(4)46(61-48)31-25-13-11-2/h44H,10-39H2,1-9H3/p+1

InChIKey

GVQKMWKHTJVOJH-UHFFFAOYSA-O

Compound name

2-[[2-[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyloxy]-3-[11-(3,4-dimethyl-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]+	895.62972	299.8
[M+Na]+	917.61166	302.4
[M+NH4]+	912.65626	276.9
[M+K]+	933.58560	306.2
[M-H]-	893.61516	296.2
[M+Na-2H]-	915.59711	288.6
[M]+	894.62189	300.5
[M]-	894.62299	300.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

895.62972

299.8

[M+Na]+

917.61166

302.4

[M+NH4]+

912.65626

276.9

[M+K]+

933.58560

306.2

[M-H]-

893.61516

296.2

[M+Na-2H]-

915.59711

288.6

[M]+

894.62189

300.5

[M]-

894.62299

300.5

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

Pc(dime(11,5)/dime(9,5))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe