CID 70783

3-methyl-1-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=NN(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
RJXLUGSJEMSDPK-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

930
Patents

158.0844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 131.3
[M+Na]+ 181.073618 140.7
[M-H]- 157.077124 135.8
[M+NH4]+ 176.118223 151.4
[M+K]+ 197.047558 137.8
[M+H-H2O]+ 141.081660 123.5
[M+HCOO]- 203.082601 155.3
[M+CH3COO]- 217.098251 145.6
[M+Na-2H]- 179.059066 138.3
[M]+ 158.08385142 131.2
[M]- 158.08494858 131.2
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