CID 42607466

1-hexadecyl-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C21H46NO6P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C21H46NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h21,23H,2-20,22H2,1H3,(H,24,25)/t21-/m1/s1
InChIKey
OKXWJISJKQKUTN-OAQYLSRUSA-N
Compound name
2-aminoethyl [(2R)-3-hexadecoxy-2-hydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

439.30627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.31355 213.7
[M+Na]+ 462.29549 217.1
[M-H]- 438.29899 204.6
[M+NH4]+ 457.34009 210.7
[M+K]+ 478.26943 211.4
[M+H-H2O]+ 422.30353 203.0
[M+HCOO]- 484.30447 221.7
[M+CH3COO]- 498.32012 230.6
[M+Na-2H]- 460.28094 197.8
[M]+ 439.30572 208.0
[M]- 439.30682 208.0
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

No patent data available for this compound.