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]+ 243.185576 155.7
[M+Na]+ 265.167518 161.9
[M-H]- 241.171024 160.4
[M+NH4]+ 260.212123 174.5
[M+K]+ 281.141458 160.1
[M+H-H2O]+ 225.175560 149.4
[M+HCOO]- 287.176501 175.6
[M+CH3COO]- 301.192151 167.0
[M+Na-2H]- 263.152966 160.3
[M]+ 242.17775142 151.7
[M]- 242.17884858 151.7
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

No patent data available for this compound.