CID 3015584

Dimethyl 4-oxopiperidine-1,3-dicarboxylate

Structural Information

Molecular Formula
C9H13NO5
SMILES
COC(=O)C1CN(CCC1=O)C(=O)OC
InChI
InChI=1S/C9H13NO5/c1-14-8(12)6-5-10(9(13)15-2)4-3-7(6)11/h6H,3-5H2,1-2H3
InChIKey
GBZKFFZVVUNDFQ-UHFFFAOYSA-N
Compound name
dimethyl 4-oxopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

215.07938 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.086656 143.2
[M+Na]+ 238.068598 149.8
[M-H]- 214.072104 145.2
[M+NH4]+ 233.113203 160.5
[M+K]+ 254.042538 150.3
[M+H-H2O]+ 198.076640 137.0
[M+HCOO]- 260.077581 161.9
[M+CH3COO]- 274.093231 184.9
[M+Na-2H]- 236.054046 145.1
[M]+ 215.07883142 143.9
[M]- 215.07992858 143.9
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