CID 599501

3-methyl-4-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=C(C(=NN1)N)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)
InChIKey
UMDNRKCXSUJMCY-UHFFFAOYSA-N
Compound name
5-methyl-4-phenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

128
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