CID 12498507

71292-44-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=NN(C(=C1O)C2=CC=CC=C2)C

InChI

InChI=1S/C11H12N2O/c1-8-11(14)10(13(2)12-8)9-6-4-3-5-7-9/h3-7,14H,1-2H3

InChIKey

CAUOZELWKCAZSL-UHFFFAOYSA-N

Compound name

1,3-dimethyl-5-phenylpyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.09496 Da
Monoisotopic Mass: 1.9
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]+	189.10224	139.7
[M+Na]+	211.08418	150.0
[M-H]-	187.08768	143.4
[M+NH4]+	206.12878	158.4
[M+K]+	227.05812	146.3
[M+H-H2O]+	171.09222	132.4
[M+HCOO]-	233.09316	162.0
[M+CH3COO]-	247.10881	181.1
[M+Na-2H]-	209.06963	144.2
[M]+	188.09441	140.3
[M]-	188.09551	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe