CID 60143882

2-(3,5-dimethyl-1h-pyrazol-1-yl)-5-methylphenol

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=CC(=C(C=C1)N2C(=CC(=N2)C)C)O
InChI
InChI=1S/C12H14N2O/c1-8-4-5-11(12(15)6-8)14-10(3)7-9(2)13-14/h4-7,15H,1-3H3
InChIKey
VQXHPRBERPTLQW-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

61
Patents

202.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 144.0
[M+Na]+ 225.099828 154.9
[M-H]- 201.103334 148.1
[M+NH4]+ 220.144433 162.5
[M+K]+ 241.073768 151.0
[M+H-H2O]+ 185.107870 136.9
[M+HCOO]- 247.108811 166.0
[M+CH3COO]- 261.124461 185.3
[M+Na-2H]- 223.085276 147.3
[M]+ 202.11006142 145.5
[M]- 202.11115858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe