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]+ 292.154336 168.1
[M+Na]+ 314.136278 172.5
[M-H]- 290.139784 172.4
[M+NH4]+ 309.180883 183.5
[M+K]+ 330.110218 171.1
[M+H-H2O]+ 274.144320 160.0
[M+HCOO]- 336.145261 185.4
[M+CH3COO]- 350.160911 199.3
[M+Na-2H]- 312.121726 170.4
[M]+ 291.14651142 167.8
[M]- 291.14760858 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.