CID 10449485

167414-75-7

Structural Information

Molecular Formula
C18H23NO5
SMILES
CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H23NO5/c1-2-23-17(21)12-16(20)15-8-10-19(11-9-15)18(22)24-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKey
HSYRPXCJJXOCKE-UHFFFAOYSA-N
Compound name
benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

333.15762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.164896 178.4
[M+Na]+ 356.146838 180.8
[M-H]- 332.150344 182.1
[M+NH4]+ 351.191443 189.8
[M+K]+ 372.120778 179.3
[M+H-H2O]+ 316.154880 169.3
[M+HCOO]- 378.155821 194.4
[M+CH3COO]- 392.171471 207.3
[M+Na-2H]- 354.132286 177.5
[M]+ 333.15707142 178.5
[M]- 333.15816858 178.5
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

patents stripe