CID 129626770

Phosphatidylcholine 18:0/9:0

Structural Information

Molecular Formula
C35H71NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
InChI
InChI=1S/C35H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-24-25-27-34(37)41-31-33(44-35(38)28-26-23-13-11-9-7-2)32-43-45(39,40)42-30-29-36(3,4)5/h33H,6-32H2,1-5H3/p+1/t33-/m1/s1
InChIKey
CLUNFPZKGTYNMF-MGBGTMOVSA-O
Compound name
2-[hydroxy-[(2R)-2-nonanoyloxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.49176 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.49904 266.1
[M+Na]+ 687.48098 269.3
[M+NH4]+ 682.52558 242.4
[M+K]+ 703.45492 274.6
[M-H]- 663.48448 260.6
[M+Na-2H]- 685.46643 255.7
[M]+ 664.49121 266.5
[M]- 664.49231 266.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.