CID 5155622

885459-76-7

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CC1CCN(CC1)C(=O)C(C)Cl
InChI
InChI=1S/C9H16ClNO/c1-7-3-5-11(6-4-7)9(12)8(2)10/h7-8H,3-6H2,1-2H3
InChIKey
RFQDAOADCODWCR-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

189.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.099316 141.3
[M+Na]+ 212.081258 147.2
[M-H]- 188.084764 142.7
[M+NH4]+ 207.125863 160.4
[M+K]+ 228.055198 144.7
[M+H-H2O]+ 172.089300 135.9
[M+HCOO]- 234.090241 154.1
[M+CH3COO]- 248.105891 182.2
[M+Na-2H]- 210.066706 143.0
[M]+ 189.09149142 139.1
[M]- 189.09258858 139.1
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.