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]+ 190.09932 141.3
[M+Na]+ 212.08126 147.2
[M-H]- 188.08476 142.7
[M+NH4]+ 207.12586 160.4
[M+K]+ 228.05520 144.7
[M+H-H2O]+ 172.08930 135.9
[M+HCOO]- 234.09024 154.1
[M+CH3COO]- 248.10589 182.2
[M+Na-2H]- 210.06671 143.0
[M]+ 189.09149 139.1
[M]- 189.09259 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.