CID 207754

1-acetyl-2-skatylpiperidine

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)CC3CCCCN3
InChI
InChI=1S/C16H20N2O/c1-12(19)18-11-13(10-14-6-4-5-9-17-14)15-7-2-3-8-16(15)18/h2-3,7-8,11,14,17H,4-6,9-10H2,1H3
InChIKey
ZPNKGJPIWKWVAN-UHFFFAOYSA-N
Compound name
1-[3-(piperidin-2-ylmethyl)indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.9
[M+Na]+ 279.14678 167.4
[M-H]- 255.15028 164.0
[M+NH4]+ 274.19138 177.1
[M+K]+ 295.12072 162.0
[M+H-H2O]+ 239.15482 152.4
[M+HCOO]- 301.15576 177.6
[M+CH3COO]- 315.17141 171.4
[M+Na-2H]- 277.13223 163.0
[M]+ 256.15701 157.3
[M]- 256.15811 157.3
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.