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]+ 172.09682 135.7
[M+Na]+ 194.07876 142.2
[M-H]- 170.08226 136.3
[M+NH4]+ 189.12336 154.1
[M+K]+ 210.05270 141.0
[M+H-H2O]+ 154.08680 129.9
[M+HCOO]- 216.08774 153.5
[M+CH3COO]- 230.10339 177.0
[M+Na-2H]- 192.06421 138.5
[M]+ 171.08899 132.7
[M]- 171.09009 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