CID 5216290

114419-45-3

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

C1=NN(C=N1)CC(C(=O)O)N

InChI

InChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)

InChIKey

XVWFTOJHOHJIMQ-UHFFFAOYSA-N

Compound name

2-amino-3-(1,2,4-triazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 238
Patents: 156.06473 Da
Monoisotopic Mass: -3.7
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]+	157.07201	130.9
[M+Na]+	179.05395	139.0
[M+NH4]+	174.09855	136.1
[M+K]+	195.02789	138.6
[M-H]-	155.05745	128.6
[M+Na-2H]-	177.03940	134.2
[M]+	156.06418	130.7
[M]-	156.06528	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe