CID 11550267

N-lactoyl ethanolamine phosphate

Structural Information

Molecular Formula
C5H12NO6P
SMILES
CC(C(=O)NCCOP(=O)(O)O)O
InChI
InChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11)
InChIKey
CKXSSEHWXMVQRZ-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

88
Patents

213.04022 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04750 145.1
[M+Na]+ 236.02944 150.1
[M-H]- 212.03294 140.0
[M+NH4]+ 231.07404 161.5
[M+K]+ 252.00338 150.4
[M+H-H2O]+ 196.03748 138.1
[M+HCOO]- 258.03842 168.9
[M+CH3COO]- 272.05407 180.5
[M+Na-2H]- 234.01489 146.4
[M]+ 213.03967 146.2
[M]- 213.04077 146.2
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