CID 58951

1-ethyl-2-skatylpiperidine hydrochloride

Structural Information

Molecular Formula
C16H22N2
SMILES
CCN1CCCCC1CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H22N2/c1-2-18-10-6-5-7-14(18)11-13-12-17-16-9-4-3-8-15(13)16/h3-4,8-9,12,14,17H,2,5-7,10-11H2,1H3
InChIKey
DFLCAZRHBPHWJA-UHFFFAOYSA-N
Compound name
3-[(1-ethylpiperidin-2-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 158.1
[M+Na]+ 265.167518 164.6
[M-H]- 241.171024 161.0
[M+NH4]+ 260.212123 175.0
[M+K]+ 281.141458 158.8
[M+H-H2O]+ 225.175560 149.4
[M+HCOO]- 287.176501 175.4
[M+CH3COO]- 301.192151 168.8
[M+Na-2H]- 263.152966 161.3
[M]+ 242.17775142 154.4
[M]- 242.17884858 154.4
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.