CID 3066701

1-piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-

Structural Information

Molecular Formula
C11H19NO3
SMILES
C[C@@H]1CC(=O)[C@H](CN1CCC(=O)OC)C
InChI
InChI=1S/C11H19NO3/c1-8-7-12(5-4-11(14)15-3)9(2)6-10(8)13/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
LWOQGWVDQHCHRK-DTWKUNHWSA-N
Compound name
methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.4
[M+Na]+ 236.12571 159.4
[M+NH4]+ 231.17031 155.9
[M+K]+ 252.09965 154.5
[M-H]- 212.12921 149.2
[M+Na-2H]- 234.11116 151.8
[M]+ 213.13594 150.4
[M]- 213.13704 150.4
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

No patent data available for this compound.