CID 68225378

5-amino-4-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=C(NN=C1N)C(=O)O

InChI

InChI=1S/C5H7N3O2/c1-2-3(5(9)10)7-8-4(2)6/h1H3,(H,9,10)(H3,6,7,8)

InChIKey

HCBCYQUYNVACKP-UHFFFAOYSA-N

Compound name

3-amino-4-methyl-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 141.05383 Da
Monoisotopic Mass: 0.1
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	127.3
[M+Na]+	164.04305	136.3
[M+NH4]+	159.08765	133.2
[M+K]+	180.01699	135.5
[M-H]-	140.04655	125.7
[M+Na-2H]-	162.02850	130.3
[M]+	141.05328	127.6
[M]-	141.05438	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe