CID 58953

Indole, 3-(hexahydro-1(2h)-azocinylmethyl)-

Structural Information

Molecular Formula
C16H22N2
SMILES
C1CCCN(CCC1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H22N2/c1-2-6-10-18(11-7-3-1)13-14-12-17-16-9-5-4-8-15(14)16/h4-5,8-9,12,17H,1-3,6-7,10-11,13H2
InChIKey
KCXDIIFZTRAZDV-UHFFFAOYSA-N
Compound name
3-(azocan-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

242.1783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 158.0
[M+Na]+ 265.16752 162.2
[M-H]- 241.17102 159.4
[M+NH4]+ 260.21212 165.5
[M+K]+ 281.14146 160.7
[M+H-H2O]+ 225.17556 153.1
[M+HCOO]- 287.17650 165.5
[M+CH3COO]- 301.19215 162.0
[M+Na-2H]- 263.15297 157.6
[M]+ 242.17775 155.6
[M]- 242.17885 155.6
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

No patent data available for this compound.