CID 13003460

Ethyl 1-methyl-3-oxopiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)C1CCN(CC1=O)C
InChI
InChI=1S/C9H15NO3/c1-3-13-9(12)7-4-5-10(2)6-8(7)11/h7H,3-6H2,1-2H3
InChIKey
XLBIKRRKMNWZIG-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-oxopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 139.5
[M+Na]+ 208.094418 146.0
[M-H]- 184.097924 141.4
[M+NH4]+ 203.139023 158.2
[M+K]+ 224.068358 145.6
[M+H-H2O]+ 168.102460 133.3
[M+HCOO]- 230.103401 158.5
[M+CH3COO]- 244.119051 181.9
[M+Na-2H]- 206.079866 142.3
[M]+ 185.10465142 138.7
[M]- 185.10574858 138.7
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