CID 54594362

5-phenyl-4,5,6,7-tetrahydro-2h-indazol-3-ol

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1CC2=C(CC1C3=CC=CC=C3)C(=O)NN2
InChI
InChI=1S/C13H14N2O/c16-13-11-8-10(6-7-12(11)14-15-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15,16)
InChIKey
YICCKRIEQALKQJ-UHFFFAOYSA-N
Compound name
5-phenyl-1,2,4,5,6,7-hexahydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.0
[M+Na]+ 237.099828 154.7
[M-H]- 213.103334 149.2
[M+NH4]+ 232.144433 164.2
[M+K]+ 253.073768 148.6
[M+H-H2O]+ 197.107870 139.3
[M+HCOO]- 259.108811 164.2
[M+CH3COO]- 273.124461 158.3
[M+Na-2H]- 235.085276 151.5
[M]+ 214.11006142 141.3
[M]- 214.11115858 141.3
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.