CID 9546806

Phosphatidylethanolamine 6:0/6:0

Structural Information

Molecular Formula
C17H34NO8P
SMILES
CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC
InChI
InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKey
PELYUHWUVHDSSU-OAHLLOKOSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

291
Patents

411.2022 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20948 202.2
[M+Na]+ 434.19142 207.0
[M+NH4]+ 429.23602 207.8
[M+K]+ 450.16536 203.4
[M-H]- 410.19492 199.2
[M+Na-2H]- 432.17687 208.8
[M]+ 411.20165 202.2
[M]- 411.20275 202.2
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