CID 4463149

2-chloro-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CC1CCCC(N1C(=O)CCl)C
InChI
InChI=1S/C9H16ClNO/c1-7-4-3-5-8(2)11(7)9(12)6-10/h7-8H,3-6H2,1-2H3
InChIKey
ALKATUXKHCBMPD-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

189.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.099316 141.0
[M+Na]+ 212.081258 148.1
[M-H]- 188.084764 142.7
[M+NH4]+ 207.125863 160.6
[M+K]+ 228.055198 145.3
[M+H-H2O]+ 172.089300 135.8
[M+HCOO]- 234.090241 154.8
[M+CH3COO]- 248.105891 182.5
[M+Na-2H]- 210.066706 143.2
[M]+ 189.09149142 139.8
[M]- 189.09258858 139.8
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

patents stripe