CID 205413

6,7,8,9,10,11-hexahydro-5-(2-(dimethylamino)ethyl)-5h-cyclooct(b)indole fumarate

Structural Information

Molecular Formula
C18H26N2
SMILES
CN(C)CCN1C2=C(CCCCCC2)C3=CC=CC=C31
InChI
InChI=1S/C18H26N2/c1-19(2)13-14-20-17-11-6-4-3-5-9-15(17)16-10-7-8-12-18(16)20/h7-8,10,12H,3-6,9,11,13-14H2,1-2H3
InChIKey
NRNGLQANHBDJEH-UHFFFAOYSA-N
Compound name
2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 169.7
[M+Na]+ 293.19882 174.1
[M-H]- 269.20232 172.0
[M+NH4]+ 288.24342 178.4
[M+K]+ 309.17276 173.2
[M+H-H2O]+ 253.20686 164.9
[M+HCOO]- 315.20780 178.4
[M+CH3COO]- 329.22345 173.7
[M+Na-2H]- 291.18427 168.5
[M]+ 270.20905 169.5
[M]- 270.21015 169.5
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.