CID 92235

Triazolealanine

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

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

InChI

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

InChIKey

CAPORZWUTKSILW-UHFFFAOYSA-N

Compound name

2-amino-3-(1H-1,2,4-triazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 307
Patents: 156.06473 Da
Monoisotopic Mass: -3.3
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	131.2
[M+Na]+	179.05395	138.8
[M+NH4]+	174.09855	136.1
[M+K]+	195.02789	138.8
[M-H]-	155.05745	128.4
[M+Na-2H]-	177.03940	133.9
[M]+	156.06418	130.8
[M]-	156.06528	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe