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]+ 214.13388 147.1
[M+Na]+ 236.11582 154.2
[M-H]- 212.11932 150.1
[M+NH4]+ 231.16042 164.6
[M+K]+ 252.08976 148.7
[M+H-H2O]+ 196.12386 138.9
[M+HCOO]- 258.12480 166.0
[M+CH3COO]- 272.14045 158.4
[M+Na-2H]- 234.10127 151.8
[M]+ 213.12605 141.0
[M]- 213.12715 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