CID 3679273

Ethyl 3-(4-methoxybenzyl)piperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H23NO3/c1-3-20-15(18)16(9-4-10-17-12-16)11-13-5-7-14(19-2)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKey
HFARJMLZICMEDM-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.175076 167.1
[M+Na]+ 300.157018 171.0
[M-H]- 276.160524 169.9
[M+NH4]+ 295.201623 182.5
[M+K]+ 316.130958 168.2
[M+H-H2O]+ 260.165060 159.1
[M+HCOO]- 322.166001 183.5
[M+CH3COO]- 336.181651 195.3
[M+Na-2H]- 298.142466 169.9
[M]+ 277.16725142 164.8
[M]- 277.16834858 164.8
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.