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

26
Patents

189.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09932 141.0
[M+Na]+ 212.08126 148.1
[M-H]- 188.08476 142.7
[M+NH4]+ 207.12586 160.6
[M+K]+ 228.05520 145.3
[M+H-H2O]+ 172.08930 135.8
[M+HCOO]- 234.09024 154.8
[M+CH3COO]- 248.10589 182.5
[M+Na-2H]- 210.06671 143.2
[M]+ 189.09149 139.8
[M]- 189.09259 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