CID 736768

5-amino-3-(4-methylphenyl)pyrazole

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=CC=C(C=C1)C2=CC(=NN2)N
InChI
InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChIKey
GVPFRVKDBZWRCZ-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

181
Patents

173.09529 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 136.3
[M+Na]+ 196.084508 145.3
[M-H]- 172.088014 139.3
[M+NH4]+ 191.129113 154.7
[M+K]+ 212.058448 140.9
[M+H-H2O]+ 156.092550 128.7
[M+HCOO]- 218.093491 159.2
[M+CH3COO]- 232.109141 149.3
[M+Na-2H]- 194.069956 141.5
[M]+ 173.09474142 133.1
[M]- 173.09583858 133.1
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