CID 27545

1,2,3,4,5,6-hexahydro-8-methoxy-azepino(4,5-b)indole hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
COC1=CC2=C(C=C1)C3=C(N2)CCNCC3
InChI
InChI=1S/C13H16N2O/c1-16-9-2-3-10-11-4-6-14-7-5-12(11)15-13(10)8-9/h2-3,8,14-15H,4-7H2,1H3
InChIKey
KBOKHQHJZARQQA-UHFFFAOYSA-N
Compound name
8-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 146.7
[M+Na]+ 239.115488 154.2
[M-H]- 215.118994 148.5
[M+NH4]+ 234.160093 164.3
[M+K]+ 255.089428 152.1
[M+H-H2O]+ 199.123530 140.3
[M+HCOO]- 261.124471 163.3
[M+CH3COO]- 275.140121 157.8
[M+Na-2H]- 237.100936 152.5
[M]+ 216.12572142 141.7
[M]- 216.12681858 141.7
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