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]+ 334.16490 178.4
[M+Na]+ 356.14684 180.8
[M-H]- 332.15034 182.1
[M+NH4]+ 351.19144 189.8
[M+K]+ 372.12078 179.3
[M+H-H2O]+ 316.15488 169.3
[M+HCOO]- 378.15582 194.4
[M+CH3COO]- 392.17147 207.3
[M+Na-2H]- 354.13229 177.5
[M]+ 333.15707 178.5
[M]- 333.15817 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