CID 69764819

2378490-42-5

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

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

InChI

InChI=1S/C5H8N4O2/c6-4(5(10)11)3-9-2-1-7-8-9/h1-2,4H,3,6H2,(H,10,11)

InChIKey

WSEIPIFXCRDQNL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 156.06473 Da
Monoisotopic Mass: -4.0
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	138.2
[M-H]-	155.05745	129.0
[M+NH4]+	174.09855	147.9
[M+K]+	195.02789	137.3
[M+H-H2O]+	139.06199	123.0
[M+HCOO]-	201.06293	151.1
[M+CH3COO]-	215.07858	174.2
[M+Na-2H]-	177.03940	135.2
[M]+	156.06418	128.7
[M]-	156.06528	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe