CID 9546666

2-palmitoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C24H51NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m1/s1
InChIKey
NEGQHKSYEYVFTD-HSZRJFAPSA-O
Compound name
2-[[(2R)-2-hexadecanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

117
Patents

496.3403 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.34758 226.4
[M+Na]+ 519.32952 229.4
[M-H]- 495.33302 222.7
[M+NH4]+ 514.37412 229.8
[M+K]+ 535.30346 225.1
[M+H-H2O]+ 479.33756 211.5
[M+HCOO]- 541.33850 238.0
[M+CH3COO]- 555.35415 236.2
[M+Na-2H]- 517.31497 210.9
[M]+ 496.33975 223.0
[M]- 496.34085 223.0
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

patents stripe