CID 77200

3641-13-2

Structural Information

Molecular Formula

C₃H₄N₄O₂

SMILES

C1(=NC(=NN1)N)C(=O)O

InChI

InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7)

InChIKey

MVRGLMCHDCMPKD-UHFFFAOYSA-N

Compound name

3-amino-1H-1,2,4-triazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1227
Patents: 128.03343 Da
Monoisotopic Mass: -0.5
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]+	129.040706	122.5
[M+Na]+	151.022648	131.5
[M-H]-	127.026154	119.8
[M+NH4]+	146.067253	140.3
[M+K]+	166.996588	129.6
[M+H-H2O]+	111.030690	115.4
[M+HCOO]-	173.031631	142.8
[M+CH3COO]-	187.047281	166.0
[M+Na-2H]-	149.008096	127.7
[M]+	128.03288142	118.8
[M]-	128.03397858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe