CID 1393

144615-60-1

Structural Information

Molecular Formula
C27H59NO6P
SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC
InChI
InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/p+1
InChIKey
MHFRGQHAERHWKZ-UHFFFAOYSA-O
Compound name
2-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

498
References

15774
Patents

524.408 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.41528 240.0
[M+Na]+ 547.39722 242.9
[M-H]- 523.40072 232.6
[M+NH4]+ 542.44182 243.0
[M+K]+ 563.37116 239.7
[M+H-H2O]+ 507.40526 225.1
[M+HCOO]- 569.40620 253.7
[M+CH3COO]- 583.42185 246.6
[M+Na-2H]- 545.38267 222.9
[M]+ 524.40745 237.5
[M]- 524.40855 237.5
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