CID 83862392

1547100-25-3

Structural Information

Molecular Formula
C13H15N3
SMILES
C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)N
InChI
InChI=1S/C13H15N3/c14-13-11-8-4-5-9-12(11)16(15-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,14,15)
InChIKey
PUKFAFBXHWRGIG-UHFFFAOYSA-N
Compound name
1-phenyl-4,5,6,7-tetrahydroindazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 147.0
[M+Na]+ 236.11582 154.5
[M-H]- 212.11932 151.4
[M+NH4]+ 231.16042 165.2
[M+K]+ 252.08976 149.9
[M+H-H2O]+ 196.12386 138.5
[M+HCOO]- 258.12480 167.4
[M+CH3COO]- 272.14045 159.0
[M+Na-2H]- 234.10127 152.1
[M]+ 213.12605 142.7
[M]- 213.12715 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.