CID 2779652

5-chloro-1,3-dimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

CC1=NN(C(=C1C(=O)O)Cl)C

InChI

InChI=1S/C6H7ClN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)

InChIKey

RRWQERXMLIEDKJ-UHFFFAOYSA-N

Compound name

5-chloro-1,3-dimethylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 174.0196 Da
Monoisotopic Mass: 1.1
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]+	175.02688	132.3
[M+Na]+	197.00882	144.4
[M+NH4]+	192.05342	139.3
[M+K]+	212.98276	141.7
[M-H]-	173.01232	131.2
[M+Na-2H]-	194.99427	136.4
[M]+	174.01905	133.7
[M]-	174.02015	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe