PubChemLite - Pc(o-14:0/15:0) (C37H77NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C37H76NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(39)45-36(35-44-46(40,41)43-33-31-38(3,4)5)34-42-32-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1

InChIKey

YUXQHZHXNCZICU-PSXMRANNSA-O

Compound name

2-[hydroxy-[(2R)-2-pentadecanoyloxy-3-tetradecoxypropoxy]phosphoryl]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]+	679.55104	273.7
[M+Na]+	701.53298	275.2
[M-H]-	677.53648	265.5
[M+NH4]+	696.57758	279.0
[M+K]+	717.50692	276.3
[M+H-H2O]+	661.54102	258.4
[M+HCOO]-	723.54196	281.7
[M+CH3COO]-	737.55761	275.1
[M+Na-2H]-	699.51843	253.1
[M]+	678.54321	271.3
[M]-	678.54431	271.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.55104

273.7

[M+Na]+

701.53298

275.2

[M-H]-

677.53648

265.5

[M+NH4]+

696.57758

279.0

[M+K]+

717.50692

276.3

[M+H-H2O]+

661.54102

258.4

[M+HCOO]-

723.54196

281.7

[M+CH3COO]-

737.55761

275.1

[M+Na-2H]-

699.51843

253.1

[M]+

678.54321

271.3

[M]-

678.54431

271.3

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

Pc(o-14:0/15:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe