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

30
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 140.3
[M+Na]+ 208.09442 145.8
[M-H]- 184.09792 141.7
[M+NH4]+ 203.13902 158.6
[M+K]+ 224.06836 145.4
[M+H-H2O]+ 168.10246 133.7
[M+HCOO]- 230.10340 159.3
[M+CH3COO]- 244.11905 180.7
[M+Na-2H]- 206.07987 143.7
[M]+ 185.10465 139.1
[M]- 185.10575 139.1
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