CID 137323911

1-(2-methoxy-6z-tetradecenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C20H42NO7P
SMILES
CCCCCCC/C=C\CCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C20H42NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-20(25-2)18-26-16-19(22)17-28-29(23,24)27-15-14-21/h9-10,19-20,22H,3-8,11-18,21H2,1-2H3,(H,23,24)/b10-9-/t19-,20?/m1/s1
InChIKey
AKCHPDUNFXDCGC-IYVXGCKASA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxytetradec-6-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.2699 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27718 209.9
[M+Na]+ 462.25912 214.0
[M-H]- 438.26262 204.1
[M+NH4]+ 457.30372 209.5
[M+K]+ 478.23306 207.8
[M+H-H2O]+ 422.26716 200.1
[M+HCOO]- 484.26810 216.8
[M+CH3COO]- 498.28375 229.1
[M+Na-2H]- 460.24457 195.2
[M]+ 439.26935 204.4
[M]- 439.27045 204.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.