CID 27557

1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CNCCC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2
InChIKey
NGUNYFTXLWTSNC-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

227
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 138.1
[M+Na]+ 209.10491 149.0
[M+NH4]+ 204.14951 146.7
[M+K]+ 225.07885 145.1
[M-H]- 185.10841 139.5
[M+Na-2H]- 207.09036 143.7
[M]+ 186.11514 140.0
[M]- 186.11624 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe