CID 18187970

Methyl 3-(4-oxopiperidin-1-yl)propanoate

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)CCN1CCC(=O)CC1
InChI
InChI=1S/C9H15NO3/c1-13-9(12)4-7-10-5-2-8(11)3-6-10/h2-7H2,1H3
InChIKey
MNGFLQSJKOSGGE-UHFFFAOYSA-N
Compound name
methyl 3-(4-oxopiperidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

185.1052 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.4
[M+Na]+ 208.09442 151.1
[M+NH4]+ 203.13902 148.3
[M+K]+ 224.06836 146.2
[M-H]- 184.09792 141.2
[M+Na-2H]- 206.07987 144.8
[M]+ 185.10465 142.3
[M]- 185.10575 142.3
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