CID 117966299

1469286-20-1

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1CC1(C(=O)O)N2C=C(C=N2)C#N

InChI

InChI=1S/C8H7N3O2/c9-3-6-4-10-11(5-6)8(1-2-8)7(12)13/h4-5H,1-2H2,(H,12,13)

InChIKey

BEPPXAFWDQYQAE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.05383 Da
Monoisotopic Mass: 0.0
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]+	178.06111	139.6
[M+Na]+	200.04305	151.0
[M+NH4]+	195.08765	144.8
[M+K]+	216.01699	145.0
[M-H]-	176.04655	139.2
[M+Na-2H]-	198.02850	145.8
[M]+	177.05328	141.2
[M]-	177.05438	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe