CID 21751144

Methyl 1-methyl-2-oxopiperidine-3-carboxylate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CN1CCCC(C1=O)C(=O)OC
InChI
InChI=1S/C8H13NO3/c1-9-5-3-4-6(7(9)10)8(11)12-2/h6H,3-5H2,1-2H3
InChIKey
GFCZCYCTEGTOBA-UHFFFAOYSA-N
Compound name
methyl 1-methyl-2-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

171.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 134.9
[M+Na]+ 194.078758 141.8
[M-H]- 170.082264 136.9
[M+NH4]+ 189.123363 154.1
[M+K]+ 210.052698 141.7
[M+H-H2O]+ 154.086800 128.9
[M+HCOO]- 216.087741 154.2
[M+CH3COO]- 230.103391 178.9
[M+Na-2H]- 192.064206 138.2
[M]+ 171.08899142 133.7
[M]- 171.09008858 133.7
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