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]+ 189.10224 140.4
[M+Na]+ 211.08418 150.3
[M-H]- 187.08768 142.8
[M+NH4]+ 206.12878 158.4
[M+K]+ 227.05812 145.7
[M+H-H2O]+ 171.09222 133.4
[M+HCOO]- 233.09316 161.2
[M+CH3COO]- 247.10881 178.6
[M+Na-2H]- 209.06963 144.4
[M]+ 188.09441 139.2
[M]- 188.09551 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.