CID 2764201

23263-96-9

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC(=NN1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C11H12N2O/c1-8-7-11(13-12-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)
InChIKey
HTQPUPKIHDBCEP-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 139.8
[M+Na]+ 211.084178 149.1
[M-H]- 187.087684 143.1
[M+NH4]+ 206.128783 158.2
[M+K]+ 227.058118 145.5
[M+H-H2O]+ 171.092220 132.2
[M+HCOO]- 233.093161 162.1
[M+CH3COO]- 247.108811 180.0
[M+Na-2H]- 209.069626 145.0
[M]+ 188.09441142 140.0
[M]- 188.09550858 140.0
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

patents stripe