CID 5313921

Pc(o-18:0/1:0)

Structural Information

Molecular Formula
C27H57NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC=O
InChI
InChI=1S/C27H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-27(33-26-29)25-35-36(30,31)34-23-21-28(2,3)4/h26-27H,5-25H2,1-4H3/p+1/t27-/m1/s1
InChIKey
PMXZPEIQBWOTPL-HHHXNRCGSA-O
Compound name
2-[[(2R)-2-formyloxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

538.38727 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.39455 239.4
[M+Na]+ 561.37649 242.3
[M-H]- 537.37999 233.4
[M+NH4]+ 556.42109 243.4
[M+K]+ 577.35043 238.7
[M+H-H2O]+ 521.38453 224.7
[M+HCOO]- 583.38547 253.7
[M+CH3COO]- 597.40112 247.4
[M+Na-2H]- 559.36194 222.5
[M]+ 538.38672 237.0
[M]- 538.38782 237.0
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