CID 4116926

2-chloro-1-(4-methylpiperidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C8H14ClNO
SMILES
CC1CCN(CC1)C(=O)CCl
InChI
InChI=1S/C8H14ClNO/c1-7-2-4-10(5-3-7)8(11)6-9/h7H,2-6H2,1H3
InChIKey
NWGYRQNLZDGOQG-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

175.07639 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08367 137.1
[M+Na]+ 198.06561 143.6
[M-H]- 174.06911 138.5
[M+NH4]+ 193.11021 156.8
[M+K]+ 214.03955 141.0
[M+H-H2O]+ 158.07365 131.7
[M+HCOO]- 220.07459 151.2
[M+CH3COO]- 234.09024 178.3
[M+Na-2H]- 196.05106 140.5
[M]+ 175.07584 135.1
[M]- 175.07694 135.1
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

patents stripe