CID 5324580

82231-51-4

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CC1=C(NN=C1)C(=O)O

InChI

InChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)

InChIKey

FNHVVMJBCILJGA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 126.04293 Da
Monoisotopic Mass: 0.4
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]+	127.05021	123.9
[M+Na]+	149.03215	134.2
[M+NH4]+	144.07675	130.5
[M+K]+	165.00609	132.4
[M-H]-	125.03565	122.2
[M+Na-2H]-	147.01760	127.9
[M]+	126.04238	124.5
[M]-	126.04348	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe