CID 13019914

4-(3,5-dimethyl-1h-pyrazol-1-yl)phenol

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=CC(=NN1C2=CC=C(C=C2)O)C

InChI

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

InChIKey

JZZQDUBNKXYQED-UHFFFAOYSA-N

Compound name

4-(3,5-dimethylpyrazol-1-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 188.09496 Da
Monoisotopic Mass: 2.3
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	140.8
[M+Na]+	211.08418	155.1
[M+NH4]+	206.12878	149.1
[M+K]+	227.05812	150.3
[M-H]-	187.08768	143.6
[M+Na-2H]-	209.06963	148.8
[M]+	188.09441	143.6
[M]-	188.09551	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe