CID 27547

1,2,3,4,5,6-hexahydro-7-methyl-azepino(4,5-b)indole hydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=C2C(=CC=C1)C3=C(N2)CCNCC3
InChI
InChI=1S/C13H16N2/c1-9-3-2-4-11-10-5-7-14-8-6-12(10)15-13(9)11/h2-4,14-15H,5-8H2,1H3
InChIKey
BUBUVULNEGTPRH-UHFFFAOYSA-N
Compound name
7-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 142.4
[M+Na]+ 223.12057 153.5
[M+NH4]+ 218.16517 150.8
[M+K]+ 239.09451 149.5
[M-H]- 199.12407 143.9
[M+Na-2H]- 221.10602 147.5
[M]+ 200.13080 144.4
[M]- 200.13190 144.4
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