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

2
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

patents stripe