CID 6102807

1-acetyl-2-lyso-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C7H16NO7P
SMILES
CC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/t7-/m1/s1
InChIKey
CWRILEGKIAOYKP-SSDOTTSWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

190
References

14943
Patents

257.06644 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07372 155.4
[M+Na]+ 280.05566 159.8
[M-H]- 256.05916 150.8
[M+NH4]+ 275.10026 170.4
[M+K]+ 296.02960 160.8
[M+H-H2O]+ 240.06370 147.6
[M+HCOO]- 302.06464 179.7
[M+CH3COO]- 316.08029 190.6
[M+Na-2H]- 278.04111 155.6
[M]+ 257.06589 159.6
[M]- 257.06699 159.6
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