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]+ 186.112476 140.3
[M+Na]+ 208.094418 145.8
[M-H]- 184.097924 141.7
[M+NH4]+ 203.139023 158.6
[M+K]+ 224.068358 145.4
[M+H-H2O]+ 168.102460 133.7
[M+HCOO]- 230.103401 159.3
[M+CH3COO]- 244.119051 180.7
[M+Na-2H]- 206.079866 143.7
[M]+ 185.10465142 139.1
[M]- 185.10574858 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