CID 120034

28748-99-4

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CCC2=C(C1)C(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKey
HZICBKDUOSCVSH-UHFFFAOYSA-N
Compound name
3-phenyl-4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 143.6
[M+Na]+ 221.104908 150.6
[M-H]- 197.108414 146.7
[M+NH4]+ 216.149513 161.9
[M+K]+ 237.078848 145.5
[M+H-H2O]+ 181.112950 135.3
[M+HCOO]- 243.113891 162.0
[M+CH3COO]- 257.129541 155.3
[M+Na-2H]- 219.090356 149.3
[M]+ 198.11514142 138.6
[M]- 198.11623858 138.6
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