CID 210796

Vufb2766

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCOC(=O)CCN1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C19H27NO4/c1-3-23-17(21)10-13-20-14-11-19(12-15-20,18(22)24-4-2)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKey
GYKGSJRVVFGGJW-UHFFFAOYSA-N
Compound name
ethyl 1-(3-ethoxy-3-oxopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 181.5
[M+Na]+ 356.18322 184.6
[M-H]- 332.18672 185.2
[M+NH4]+ 351.22782 195.2
[M+K]+ 372.15716 182.5
[M+H-H2O]+ 316.19126 172.8
[M+HCOO]- 378.19220 197.8
[M+CH3COO]- 392.20785 208.2
[M+Na-2H]- 354.16867 182.2
[M]+ 333.19345 182.2
[M]- 333.19455 182.2
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