CID 2736898

3-methyl-1-(4-methylphenyl)-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC=C(C=C1)N2C(=O)C=C(N2)C
InChI
InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-7,12H,1-2H3
InChIKey
YAVQZXBVUORYNQ-UHFFFAOYSA-N
Compound name
5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

188.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.0
[M+Na]+ 211.084178 149.6
[M-H]- 187.087684 142.8
[M+NH4]+ 206.128783 157.7
[M+K]+ 227.058118 145.4
[M+H-H2O]+ 171.092220 131.8
[M+HCOO]- 233.093161 161.5
[M+CH3COO]- 247.108811 180.3
[M+Na-2H]- 209.069626 143.5
[M]+ 188.09441142 139.0
[M]- 188.09550858 139.0
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

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