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]+ 215.11789 147.0
[M+Na]+ 237.09983 154.7
[M-H]- 213.10333 149.2
[M+NH4]+ 232.14443 164.2
[M+K]+ 253.07377 148.6
[M+H-H2O]+ 197.10787 139.3
[M+HCOO]- 259.10881 164.2
[M+CH3COO]- 273.12446 158.3
[M+Na-2H]- 235.08528 151.5
[M]+ 214.11006 141.3
[M]- 214.11116 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.