CID 139597001

Triazole alanine (m06)

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

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

InChI

InChI=1S/C4H6N4O2/c5-3(4(9)10)8-2-6-1-7-8/h1-3H,5H2,(H,9,10)

InChIKey

RXQSKGGTYNLGHU-UHFFFAOYSA-N

Compound name

2-amino-2-(1,2,4-triazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 142.04907 Da
Monoisotopic Mass: -3.4
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]+	143.05635	126.5
[M+Na]+	165.03829	134.9
[M+NH4]+	160.08289	131.9
[M+K]+	181.01223	134.7
[M-H]-	141.04179	124.3
[M+Na-2H]-	163.02374	130.1
[M]+	142.04852	126.4
[M]-	142.04962	126.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.