CID 16227382

96197-36-3

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1CC2=C(C1)N(N=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C13H12N2O2/c16-13(17)12-10-7-4-8-11(10)15(14-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17)

InChIKey

GLJYJHLGZYJNJK-UHFFFAOYSA-N

Compound name

1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 228.08987 Da
Monoisotopic Mass: 2.4
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]+	229.09715	150.3
[M+Na]+	251.07909	162.0
[M+NH4]+	246.12369	158.3
[M+K]+	267.05303	159.9
[M-H]-	227.08259	152.1
[M+Na-2H]-	249.06454	155.8
[M]+	228.08932	152.3
[M]-	228.09042	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe