CID 89853053

1469287-10-2

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

C1CC1(C(=O)O)N2C=C(C=N2)Cl

InChI

InChI=1S/C7H7ClN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12)

InChIKey

XKQWMNQELZDIST-UHFFFAOYSA-N

Compound name

1-(4-chloropyrazol-1-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 186.0196 Da
Monoisotopic Mass: 0.9
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]+	187.02688	138.3
[M+Na]+	209.00882	151.4
[M+NH4]+	204.05342	147.7
[M+K]+	224.98276	147.7
[M-H]-	185.01232	145.7
[M+Na-2H]-	206.99427	147.8
[M]+	186.01905	143.6
[M]-	186.02015	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe