PubChemLite - Pc(17:0/10:0) (C35H71NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC

InChI

InChI=1S/C35H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-22-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36(3,4)5)44-35(38)28-26-24-21-13-11-9-7-2/h33H,6-32H2,1-5H3/p+1/t33-/m1/s1

InChIKey

KUVYUHTUUJKOKR-MGBGTMOVSA-O

Compound name

2-[[(2R)-2-decanoyloxy-3-heptadecanoyloxypropoxy]-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]+	665.49904	266.3
[M+Na]+	687.48098	268.8
[M-H]-	663.48448	261.8
[M+NH4]+	682.52558	274.3
[M+K]+	703.45492	269.0
[M+H-H2O]+	647.48902	252.0
[M+HCOO]-	709.48996	273.4
[M+CH3COO]-	723.50561	270.2
[M+Na-2H]-	685.46643	247.4
[M]+	664.49121	264.4
[M]-	664.49231	264.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

665.49904

266.3

[M+Na]+

687.48098

268.8

[M-H]-

663.48448

261.8

[M+NH4]+

682.52558

274.3

[M+K]+

703.45492

269.0

[M+H-H2O]+

647.48902

252.0

[M+HCOO]-

709.48996

273.4

[M+CH3COO]-

723.50561

270.2

[M+Na-2H]-

685.46643

247.4

[M]+

664.49121

264.4

[M]-

664.49231

264.4

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

Pc(17:0/10:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe