CID 27563

1,2,3,4,5,6-hexahydro-10-methoxy-azepino(4,5-b)indole hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
COC1=CC=CC2=C1C3=C(N2)CCNCC3
InChI
InChI=1S/C13H16N2O/c1-16-12-4-2-3-11-13(12)9-5-7-14-8-6-10(9)15-11/h2-4,14-15H,5-8H2,1H3
InChIKey
ZNWWJCLSVKXLGB-UHFFFAOYSA-N
Compound name
10-methoxy-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

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 145.6
[M+Na]+ 239.11549 156.2
[M+NH4]+ 234.16009 153.5
[M+K]+ 255.08943 152.7
[M-H]- 215.11899 146.6
[M+Na-2H]- 237.10094 150.2
[M]+ 216.12572 147.3
[M]- 216.12682 147.3
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