CID 20582

6-methyl-3,4,5,6-tetrahydro-1h-azepino(5,4,3-cd)indole hydrochloride

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1C2=C3C(=CNC3=CC=C2)CCN1
InChI
InChI=1S/C12H14N2/c1-8-10-3-2-4-11-12(10)9(7-14-11)5-6-13-8/h2-4,7-8,13-14H,5-6H2,1H3
InChIKey
GWUVNKKBPJIULZ-UHFFFAOYSA-N
Compound name
9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 136.3
[M+Na]+ 209.10491 147.6
[M+NH4]+ 204.14951 144.9
[M+K]+ 225.07885 143.8
[M-H]- 185.10841 137.4
[M+Na-2H]- 207.09036 141.4
[M]+ 186.11514 138.2
[M]- 186.11624 138.2
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.