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]+ 219.089476 147.9
[M+Na]+ 241.071418 153.2
[M-H]- 217.074924 149.2
[M+NH4]+ 236.116023 165.4
[M+K]+ 257.045358 150.6
[M+H-H2O]+ 201.079460 142.0
[M+HCOO]- 263.080401 162.1
[M+CH3COO]- 277.096051 187.6
[M+Na-2H]- 239.056866 149.8
[M]+ 218.08165142 145.6
[M]- 218.08274858 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