CID 17999271

Benzyl ethyl piperidine-1,3-dicarboxylate

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

109
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 168.5
[M+Na]+ 314.13628 171.9
[M-H]- 290.13978 172.4
[M+NH4]+ 309.18088 181.8
[M+K]+ 330.11022 170.2
[M+H-H2O]+ 274.14432 159.6
[M+HCOO]- 336.14526 185.8
[M+CH3COO]- 350.16091 199.1
[M+Na-2H]- 312.12173 169.5
[M]+ 291.14651 167.7
[M]- 291.14761 167.7
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