CID 12954053

Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H21NO4
SMILES
CCOC(=O)C=C1CCN(CC1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO4/c1-2-21-16(19)12-14-8-10-18(11-9-14)17(20)22-13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3
InChIKey
HDYDVFOKRUEKRB-UHFFFAOYSA-N
Compound name
benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

303.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 172.0
[M+Na]+ 326.13628 175.3
[M-H]- 302.13978 175.8
[M+NH4]+ 321.18088 184.8
[M+K]+ 342.11022 172.8
[M+H-H2O]+ 286.14432 163.0
[M+HCOO]- 348.14526 189.1
[M+CH3COO]- 362.16091 200.7
[M+Na-2H]- 324.12173 172.5
[M]+ 303.14651 170.7
[M]- 303.14761 170.7
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