CID 24219848

3-methyl-4-(4-methylphenyl)-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=CC=C(C=C1)C2=C(NN=C2N)C
InChI
InChI=1S/C11H13N3/c1-7-3-5-9(6-4-7)10-8(2)13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKey
FIQXGADANMRLKW-UHFFFAOYSA-N
Compound name
5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
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

literature stripe

Patent stripe

patents stripe