CID 98736

2-pyrazoline, 3-amino-1-phenyl-

Structural Information

Molecular Formula
C9H11N3
SMILES
C1CN(N=C1N)C2=CC=CC=C2
InChI
InChI=1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKey
QENUTIJJGGTTPE-UHFFFAOYSA-N
Compound name
2-phenyl-3,4-dihydropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

188
Patents

161.09529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.6
[M+Na]+ 184.084508 140.4
[M-H]- 160.088014 136.3
[M+NH4]+ 179.129113 151.8
[M+K]+ 200.058448 137.5
[M+H-H2O]+ 144.092550 124.5
[M+HCOO]- 206.093491 155.9
[M+CH3COO]- 220.109141 145.8
[M+Na-2H]- 182.069956 138.5
[M]+ 161.09474142 129.0
[M]- 161.09583858 129.0
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