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]+ 278.17508 167.1
[M+Na]+ 300.15702 171.0
[M-H]- 276.16052 169.9
[M+NH4]+ 295.20162 182.5
[M+K]+ 316.13096 168.2
[M+H-H2O]+ 260.16506 159.1
[M+HCOO]- 322.16600 183.5
[M+CH3COO]- 336.18165 195.3
[M+Na-2H]- 298.14247 169.9
[M]+ 277.16725 164.8
[M]- 277.16835 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.