CID 4328175

90861-52-2

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC=C(C=C1)C2=NNC(=C2)C
InChI
InChI=1S/C11H12N2/c1-8-3-5-10(6-4-8)11-7-9(2)12-13-11/h3-7H,1-2H3,(H,12,13)
InChIKey
GCBXABQYUJKQHX-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylphenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

172.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 136.5
[M+Na]+ 195.089268 146.0
[M-H]- 171.092774 139.8
[M+NH4]+ 190.133873 155.6
[M+K]+ 211.063208 141.8
[M+H-H2O]+ 155.097310 129.1
[M+HCOO]- 217.098251 158.6
[M+CH3COO]- 231.113901 150.0
[M+Na-2H]- 193.074716 141.7
[M]+ 172.09950142 135.3
[M]- 172.10059858 135.3
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

patents stripe