CID 135949929

4-ethyl-2-(1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CCC1=CC(=C(C=C1)O)C2=CC=NN2

InChI

InChI=1S/C11H12N2O/c1-2-8-3-4-11(14)9(7-8)10-5-6-12-13-10/h3-7,14H,2H2,1H3,(H,12,13)

InChIKey

TZMRUQWCXUZYKL-UHFFFAOYSA-N

Compound name

4-ethyl-2-(1H-pyrazol-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	140.4
[M+Na]+	211.084178	149.3
[M-H]-	187.087684	142.4
[M+NH4]+	206.128783	158.1
[M+K]+	227.058118	144.8
[M+H-H2O]+	171.092220	133.1
[M+HCOO]-	233.093161	161.2
[M+CH3COO]-	247.108811	153.0
[M+Na-2H]-	209.069626	145.2
[M]+	188.09441142	138.8
[M]-	188.09550858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe