CID 39870619

3-(4,5,6,7-tetrahydro-1h-indazol-3-yl)aniline

Structural Information

Molecular Formula
C13H15N3
SMILES
C1CCC2=C(C1)C(=NN2)C3=CC(=CC=C3)N
InChI
InChI=1S/C13H15N3/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKey
KVBOMBWNRTZOAU-UHFFFAOYSA-N
Compound name
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.1266 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.133876 147.1
[M+Na]+ 236.115818 154.2
[M-H]- 212.119324 150.1
[M+NH4]+ 231.160423 164.6
[M+K]+ 252.089758 148.7
[M+H-H2O]+ 196.123860 138.9
[M+HCOO]- 258.124801 166.0
[M+CH3COO]- 272.140451 158.4
[M+Na-2H]- 234.101266 151.8
[M]+ 213.12605142 141.0
[M]- 213.12714858 141.0
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

patents stripe