CID 568114

Methyl 6-oxopiperidine-3-carboxylate

Structural Information

Molecular Formula
C7H11NO3
SMILES
COC(=O)C1CCC(=O)NC1
InChI
InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKey
YORUFIOEZHJAEZ-UHFFFAOYSA-N
Compound name
methyl 6-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

157.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.1
[M+Na]+ 180.063118 138.0
[M-H]- 156.066624 132.5
[M+NH4]+ 175.107723 150.8
[M+K]+ 196.037058 137.1
[M+H-H2O]+ 140.071160 126.2
[M+HCOO]- 202.072101 150.2
[M+CH3COO]- 216.087751 172.0
[M+Na-2H]- 178.048566 136.0
[M]+ 157.07335142 128.2
[M]- 157.07444858 128.2
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