CID 5313264

Pc(16:0/5:0)

Structural Information

Molecular Formula
C29H59NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC
InChI
InChI=1S/C29H58NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-28(31)35-25-27(38-29(32)21-9-7-2)26-37-39(33,34)36-24-23-30(3,4)5/h27H,6-26H2,1-5H3/p+1/t27-/m1/s1
InChIKey
GJOJUVBYCFSGJT-HHHXNRCGSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-pentanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

580.3978 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.40508 245.5
[M+Na]+ 603.38702 249.2
[M-H]- 579.39052 243.4
[M+NH4]+ 598.43162 253.7
[M+K]+ 619.36096 246.9
[M+H-H2O]+ 563.39506 232.0
[M+HCOO]- 625.39600 255.1
[M+CH3COO]- 639.41165 253.6
[M+Na-2H]- 601.37247 229.2
[M]+ 580.39725 243.6
[M]- 580.39835 243.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe