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

44
Patents

157.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.1
[M+Na]+ 180.06312 138.0
[M-H]- 156.06662 132.5
[M+NH4]+ 175.10772 150.8
[M+K]+ 196.03706 137.1
[M+H-H2O]+ 140.07116 126.2
[M+HCOO]- 202.07210 150.2
[M+CH3COO]- 216.08775 172.0
[M+Na-2H]- 178.04857 136.0
[M]+ 157.07335 128.2
[M]- 157.07445 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