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

122
Patents

291.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 168.5
[M+Na]+ 314.136278 171.9
[M-H]- 290.139784 172.4
[M+NH4]+ 309.180883 181.8
[M+K]+ 330.110218 170.2
[M+H-H2O]+ 274.144320 159.6
[M+HCOO]- 336.145261 185.8
[M+CH3COO]- 350.160911 199.1
[M+Na-2H]- 312.121726 169.5
[M]+ 291.14651142 167.7
[M]- 291.14760858 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