CID 3054557

Brn 0424142

Structural Information

Molecular Formula
C16H21NO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)C)OC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-3-20-15(19)16(21-14-7-5-4-6-8-14)9-11-17(12-10-16)13(2)18/h4-8H,3,9-12H2,1-2H3
InChIKey
HWVPBULHAJSBRK-UHFFFAOYSA-N
Compound name
ethyl 1-acetyl-4-phenoxypiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 168.1
[M+Na]+ 314.13628 172.5
[M-H]- 290.13978 172.4
[M+NH4]+ 309.18088 183.5
[M+K]+ 330.11022 171.1
[M+H-H2O]+ 274.14432 160.0
[M+HCOO]- 336.14526 185.4
[M+CH3COO]- 350.16091 199.3
[M+Na-2H]- 312.12173 170.4
[M]+ 291.14651 167.8
[M]- 291.14761 167.8
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

No patent data available for this compound.