CID 97773

3-carbethoxy-2-piperidone

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCOC(=O)C1CCCNC1=O
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
DUMNOWYWTAYLJN-UHFFFAOYSA-N
Compound name
ethyl 2-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

436
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.6
[M+Na]+ 194.07876 142.2
[M-H]- 170.08226 136.8
[M+NH4]+ 189.12336 154.8
[M+K]+ 210.05270 141.0
[M+H-H2O]+ 154.08680 130.5
[M+HCOO]- 216.08774 154.4
[M+CH3COO]- 230.10339 175.1
[M+Na-2H]- 192.06421 140.0
[M]+ 171.08899 133.1
[M]- 171.09009 133.1
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