CID 125449011

Benzyl 4,4-dimethoxy-3-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C15H19NO5
SMILES
COC1(CCN(CC1=O)C(=O)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C15H19NO5/c1-19-15(20-2)8-9-16(10-13(15)17)14(18)21-11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey
FIXGGAWNQKSLOZ-UHFFFAOYSA-N
Compound name
benzyl 4,4-dimethoxy-3-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 165.7
[M+Na]+ 316.11552 171.5
[M-H]- 292.11902 170.5
[M+NH4]+ 311.16012 181.3
[M+K]+ 332.08946 170.6
[M+H-H2O]+ 276.12356 157.6
[M+HCOO]- 338.12450 184.5
[M+CH3COO]- 352.14015 198.8
[M+Na-2H]- 314.10097 169.2
[M]+ 293.12575 167.5
[M]- 293.12685 167.5
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

No patent data available for this compound.