CID 588120

4-amino-1-methyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

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

InChI

InChI=1S/C5H7N3O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,6H2,1H3,(H,9,10)

InChIKey

KMLOGBKLHVLMHE-UHFFFAOYSA-N

Compound name

4-amino-2-methylpyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 141.05383 Da
Monoisotopic Mass: 0.0
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]+	142.06111	126.2
[M+Na]+	164.04305	135.7
[M-H]-	140.04655	126.4
[M+NH4]+	159.08765	146.0
[M+K]+	180.01699	134.4
[M+H-H2O]+	124.05109	119.8
[M+HCOO]-	186.05203	148.8
[M+CH3COO]-	200.06768	172.7
[M+Na-2H]-	162.02850	130.3
[M]+	141.05328	125.0
[M]-	141.05438	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe