CID 151187

O-phosphohomoserine

Structural Information

Molecular Formula

C₄H₁₀NO₆P

SMILES

C(COP(=O)(O)O)[C@@H](C(=O)O)N

InChI

InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

InChIKey

FXDNYOANAXWZHG-VKHMYHEASA-N

Compound name

(2S)-2-amino-4-phosphonooxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 967
Patents: 199.02457 Da
Monoisotopic Mass: -5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.031846	140.7
[M+Na]+	222.013788	146.0
[M-H]-	198.017294	135.2
[M+NH4]+	217.058393	157.3
[M+K]+	237.987728	146.2
[M+H-H2O]+	182.021830	133.8
[M+HCOO]-	244.022771	164.1
[M+CH3COO]-	258.038421	177.7
[M+Na-2H]-	219.999236	141.4
[M]+	199.02402142	140.4
[M]-	199.02511858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe