CID 58953

3-(azocan-1-ylmethyl)-1h-indole

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 155.6
[M+Na]+ 265.16752 159.6
[M+NH4]+ 260.21212 158.5
[M+K]+ 281.14146 158.4
[M-H]- 241.17102 156.8
[M+Na-2H]- 263.15297 158.7
[M]+ 242.17775 156.4
[M]- 242.17885 156.4
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.