CID 17999271

310454-53-6

Structural Information

Molecular Formula
C16H21NO4
SMILES
CCOC(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-2-20-15(18)14-9-6-10-17(11-14)16(19)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKey
NJRONXOELMBCSE-UHFFFAOYSA-N
Compound name
1-O-benzyl 3-O-ethyl piperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

291.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 168.7
[M+Na]+ 314.13628 179.1
[M+NH4]+ 309.18088 174.9
[M+K]+ 330.11022 173.5
[M-H]- 290.13978 170.4
[M+Na-2H]- 312.12173 173.8
[M]+ 291.14651 170.3
[M]- 291.14761 170.3
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