CID 222312

2-chloro-1-piperidine-1-yl-ethanone

Structural Information

Molecular Formula
C7H12ClNO
SMILES
C1CCN(CC1)C(=O)CCl
InChI
InChI=1S/C7H12ClNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKey
NSWLMOHUXYULKL-UHFFFAOYSA-N
Compound name
2-chloro-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

729
Patents

161.06075 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 133.1
[M+Na]+ 184.04997 139.0
[M-H]- 160.05347 134.3
[M+NH4]+ 179.09457 153.0
[M+K]+ 200.02391 136.7
[M+H-H2O]+ 144.05801 127.5
[M+HCOO]- 206.05895 147.4
[M+CH3COO]- 220.07460 174.2
[M+Na-2H]- 182.03542 137.6
[M]+ 161.06020 130.3
[M]- 161.06130 130.3
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