CID 14770682

127892-62-0

Structural Information

Molecular Formula

C₇H₉ClN₂O₂

SMILES

CCC1=NN(C(=C1Cl)C(=O)O)C

InChI

InChI=1S/C7H9ClN2O2/c1-3-4-5(8)6(7(11)12)10(2)9-4/h3H2,1-2H3,(H,11,12)

InChIKey

NXAIFVHVBHMNJS-UHFFFAOYSA-N

Compound name

4-chloro-5-ethyl-2-methylpyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 78
Patents: 188.03525 Da
Monoisotopic Mass: 1.6
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]+	189.04253	136.8
[M+Na]+	211.02447	148.7
[M+NH4]+	206.06907	143.6
[M+K]+	226.99841	145.7
[M-H]-	187.02797	135.7
[M+Na-2H]-	209.00992	140.6
[M]+	188.03470	138.2
[M]-	188.03580	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe