CID 70800

3,5-dimethyl-1-phenylpyrazole

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
ULPMPUPEFBDQQA-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

594
Patents

172.10005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 135.8
[M+Na]+ 195.089268 145.7
[M-H]- 171.092774 140.5
[M+NH4]+ 190.133873 155.6
[M+K]+ 211.063208 142.5
[M+H-H2O]+ 155.097310 128.1
[M+HCOO]- 217.098251 159.4
[M+CH3COO]- 231.113901 149.9
[M+Na-2H]- 193.074716 141.5
[M]+ 172.09950142 136.4
[M]- 172.10059858 136.4
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