CID 12356179

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

Structural Information

Molecular Formula
C10H11N3
SMILES
CNC1=NNC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3/c1-11-10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12,13)
InChIKey
RKZLEVRKZGNWES-UHFFFAOYSA-N
Compound name
N-methyl-5-phenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

173.09529 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 135.5
[M+Na]+ 196.084508 143.5
[M-H]- 172.088014 138.5
[M+NH4]+ 191.129113 153.8
[M+K]+ 212.058448 139.5
[M+H-H2O]+ 156.092550 127.5
[M+HCOO]- 218.093491 159.0
[M+CH3COO]- 232.109141 148.4
[M+Na-2H]- 194.069956 142.5
[M]+ 173.09474142 132.8
[M]- 173.09583858 132.8
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