CID 22241658

3-(3,5-dimethylphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=CC(=CC(=C1)C2=CC(=NN2)N)C
InChI
InChI=1S/C11H13N3/c1-7-3-8(2)5-9(4-7)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14)
InChIKey
GKZKLQLTKBJEHC-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 141.1
[M+Na]+ 210.100168 150.7
[M-H]- 186.103674 144.4
[M+NH4]+ 205.144773 159.4
[M+K]+ 226.074108 146.0
[M+H-H2O]+ 170.108210 133.6
[M+HCOO]- 232.109151 163.7
[M+CH3COO]- 246.124801 154.1
[M+Na-2H]- 208.085616 145.1
[M]+ 187.11040142 138.7
[M]- 187.11149858 138.7
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