CID 28831

5,6,7,8,9,10-hexahydro-5-(3-aminopropyl)cyclohept(b)indole hydrochloride

Structural Information

Molecular Formula
C16H22N2
SMILES
C1CCC2=C(CC1)N(C3=CC=CC=C23)CCCN
InChI
InChI=1S/C16H22N2/c17-11-6-12-18-15-9-3-1-2-7-13(15)14-8-4-5-10-16(14)18/h4-5,8,10H,1-3,6-7,9,11-12,17H2
InChIKey
CJHAKCNBUQSXKV-UHFFFAOYSA-N
Compound name
3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 155.0
[M+Na]+ 265.16752 165.3
[M+NH4]+ 260.21212 163.8
[M+K]+ 281.14146 160.4
[M-H]- 241.17102 158.2
[M+Na-2H]- 263.15297 160.2
[M]+ 242.17775 157.4
[M]- 242.17885 157.4
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

No patent data available for this compound.