CID 440129

14403-45-3

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)O

InChI

InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/t5-/m0/s1

InChIKey

ACZFBYCNAVEFLC-YFKPBYRVSA-N

Compound name

(2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1061
Patents: 156.0535 Da
Monoisotopic Mass: -0.7
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]+	157.06078	132.1
[M+Na]+	179.04272	140.3
[M+NH4]+	174.08732	137.4
[M+K]+	195.01666	139.8
[M-H]-	155.04622	129.0
[M+Na-2H]-	177.02817	134.6
[M]+	156.05295	131.7
[M]-	156.05405	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe