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: 34
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]+	189.102236	139.7
[M+Na]+	211.084178	150.0
[M-H]-	187.087684	143.4
[M+NH4]+	206.128783	158.4
[M+K]+	227.058118	146.3
[M+H-H2O]+	171.092220	132.4
[M+HCOO]-	233.093161	162.0
[M+CH3COO]-	247.108811	181.1
[M+Na-2H]-	209.069626	144.2
[M]+	188.09441142	140.3
[M]-	188.09550858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe