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 140.4
[M+Na]+ 209.10491 148.6
[M-H]- 185.10841 141.9
[M+NH4]+ 204.14951 159.7
[M+K]+ 225.07885 146.1
[M+H-H2O]+ 169.11295 134.5
[M+HCOO]- 231.11389 157.3
[M+CH3COO]- 245.12954 152.2
[M+Na-2H]- 207.09036 147.1
[M]+ 186.11514 135.6
[M]- 186.11624 135.6
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.