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

3
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 143.6
[M+Na]+ 223.120568 151.2
[M-H]- 199.124074 145.4
[M+NH4]+ 218.165173 162.0
[M+K]+ 239.094508 148.5
[M+H-H2O]+ 183.128610 137.4
[M+HCOO]- 245.129551 160.0
[M+CH3COO]- 259.145201 154.9
[M+Na-2H]- 221.106016 149.3
[M]+ 200.13080142 137.3
[M]- 200.13189858 137.3
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