CID 3078484

121306-86-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1C=NN(C1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C10H10N2O2/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,13,14)

InChIKey

NFZHBSCUXMSPHX-UHFFFAOYSA-N

Compound name

3-phenyl-3,4-dihydropyrazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.07423 Da
Monoisotopic Mass: 0.8
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]+	191.081506	139.6
[M+Na]+	213.063448	147.4
[M-H]-	189.066954	142.6
[M+NH4]+	208.108053	157.3
[M+K]+	229.037388	144.7
[M+H-H2O]+	173.071490	131.9
[M+HCOO]-	235.072431	160.2
[M+CH3COO]-	249.088081	177.5
[M+Na-2H]-	211.048896	143.9
[M]+	190.07368142	137.6
[M]-	190.07477858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe