CID 50986305

1182969-06-7

Structural Information

Molecular Formula
C9H15ClN2O2
SMILES
CC(=O)NC1CCCN(C1)C(=O)CCl
InChI
InChI=1S/C9H15ClN2O2/c1-7(13)11-8-3-2-4-12(6-8)9(14)5-10/h8H,2-6H2,1H3,(H,11,13)
InChIKey
YDHPTUBYYCDODX-UHFFFAOYSA-N
Compound name
N-[1-(2-chloroacetyl)piperidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.0822 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08948 147.9
[M+Na]+ 241.07142 153.2
[M-H]- 217.07492 149.2
[M+NH4]+ 236.11602 165.4
[M+K]+ 257.04536 150.6
[M+H-H2O]+ 201.07946 142.0
[M+HCOO]- 263.08040 162.1
[M+CH3COO]- 277.09605 187.6
[M+Na-2H]- 239.05687 149.8
[M]+ 218.08165 145.6
[M]- 218.08275 145.6
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