CID 2758562

3-(3,5-dimethyl-2-hydroxyphenyl)pyrazole

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC(=C(C(=C1)C2=CC=NN2)O)C
InChI
InChI=1S/C11H12N2O/c1-7-5-8(2)11(14)9(6-7)10-3-4-12-13-10/h3-6,14H,1-2H3,(H,12,13)
InChIKey
UGVJBLJONNYBHH-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-(1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 140.4
[M+Na]+ 211.084178 150.3
[M-H]- 187.087684 142.8
[M+NH4]+ 206.128783 158.4
[M+K]+ 227.058118 145.7
[M+H-H2O]+ 171.092220 133.4
[M+HCOO]- 233.093161 161.2
[M+CH3COO]- 247.108811 178.6
[M+Na-2H]- 209.069626 144.4
[M]+ 188.09441142 139.2
[M]- 188.09550858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.