CID 89854299

1469286-32-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1CC(C1)(C(=O)O)N2C=CC=N2

InChI

InChI=1S/C8H10N2O2/c11-7(12)8(3-1-4-8)10-6-2-5-9-10/h2,5-6H,1,3-4H2,(H,11,12)

InChIKey

ZYVKQFYWVKXQGD-UHFFFAOYSA-N

Compound name

1-pyrazol-1-ylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 166.07423 Da
Monoisotopic Mass: 0.6
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]+	167.08151	134.2
[M+Na]+	189.06345	139.8
[M+NH4]+	184.10805	138.7
[M+K]+	205.03739	137.5
[M-H]-	165.06695	131.8
[M+Na-2H]-	187.04890	138.5
[M]+	166.07368	133.0
[M]-	166.07478	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe