CID 55290213

24660-65-9

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

CN1C(=C(N=N1)C(=O)O)N

InChI

InChI=1S/C4H6N4O2/c1-8-3(5)2(4(9)10)6-7-8/h5H2,1H3,(H,9,10)

InChIKey

MOXBGGNXVOSXMZ-UHFFFAOYSA-N

Compound name

5-amino-1-methyltriazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.04907 Da
Monoisotopic Mass: -0.2
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	126.3
[M+Na]+	165.03829	136.3
[M-H]-	141.04179	125.2
[M+NH4]+	160.08289	144.7
[M+K]+	181.01223	135.0
[M+H-H2O]+	125.04633	119.2
[M+HCOO]-	187.04727	147.8
[M+CH3COO]-	201.06292	172.6
[M+Na-2H]-	163.02374	130.8
[M]+	142.04852	125.3
[M]-	142.04962	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe