CID 121596333

Phosphatidylcholine 18:0/8:0

Structural Information

Molecular Formula
C34H69NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChI
InChI=1S/C34H68NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-24-26-33(36)40-30-32(43-34(37)27-25-22-11-9-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h32H,6-31H2,1-5H3/p+1/t32-/m1/s1
InChIKey
DLNRUGDIZLLLEA-JGCGQSQUSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecanoyloxy-2-octanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.4761 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.48338 262.8
[M+Na]+ 673.46532 266.2
[M+NH4]+ 668.50992 239.1
[M+K]+ 689.43926 271.6
[M-H]- 649.46882 257.4
[M+Na-2H]- 671.45077 252.8
[M]+ 650.47555 263.3
[M]- 650.47665 263.3
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.