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

No literature data available for this compound.

Patent stripe

patents stripe