CID 44827688

1-ethyl-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCN1CC(CCC1=O)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-2-9-5-6(8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKey
BDOVKBMNIWNGIL-UHFFFAOYSA-N
Compound name
1-ethyl-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 135.7
[M+Na]+ 194.078758 142.2
[M-H]- 170.082264 136.3
[M+NH4]+ 189.123363 154.1
[M+K]+ 210.052698 141.0
[M+H-H2O]+ 154.086800 129.9
[M+HCOO]- 216.087741 153.5
[M+CH3COO]- 230.103391 177.0
[M+Na-2H]- 192.064206 138.5
[M]+ 171.08899142 132.7
[M]- 171.09008858 132.7
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