CID 1015

O-phosphorylethanolamine

Structural Information

Molecular Formula
C2H8NO4P
SMILES
C(COP(=O)(O)O)N
InChI
InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Compound name
2-aminoethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

651
References

17320
Patents

141.01909 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02637 126.7
[M+Na]+ 164.00831 133.4
[M+NH4]+ 159.05291 131.9
[M+K]+ 179.98225 131.9
[M-H]- 140.01181 122.9
[M+Na-2H]- 161.99376 127.6
[M]+ 141.01854 125.9
[M]- 141.01964 125.9
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