CID 4657580

Ethyl 1-(2-chloroacetyl)piperidine-3-carboxylate

Structural Information

Molecular Formula
C10H16ClNO3
SMILES
CCOC(=O)C1CCCN(C1)C(=O)CCl
InChI
InChI=1S/C10H16ClNO3/c1-2-15-10(14)8-4-3-5-12(7-8)9(13)6-11/h8H,2-7H2,1H3
InChIKey
QWBCFYAGERCGJG-UHFFFAOYSA-N
Compound name
ethyl 1-(2-chloroacetyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

233.08188 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08916 150.1
[M+Na]+ 256.07110 155.8
[M-H]- 232.07460 151.4
[M+NH4]+ 251.11570 167.3
[M+K]+ 272.04504 153.6
[M+H-H2O]+ 216.07914 144.3
[M+HCOO]- 278.08008 163.3
[M+CH3COO]- 292.09573 187.7
[M+Na-2H]- 254.05655 151.4
[M]+ 233.08133 150.5
[M]- 233.08243 150.5
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