CID 90117

23482-33-9

Structural Information

Molecular Formula

C₁₄H₁₈ClNO₃

SMILES

CCOC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H18ClNO3/c1-2-19-13(17)16-9-7-14(18,8-10-16)11-3-5-12(15)6-4-11/h3-6,18H,2,7-10H2,1H3

InChIKey

CURANEYLIZSJBL-UHFFFAOYSA-N

Compound name

ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.09753 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.104806	162.6
[M+Na]+	306.086748	169.3
[M-H]-	282.090254	166.2
[M+NH4]+	301.131353	179.2
[M+K]+	322.060688	165.2
[M+H-H2O]+	266.094790	156.1
[M+HCOO]-	328.095731	175.3
[M+CH3COO]-	342.111381	193.5
[M+Na-2H]-	304.072196	165.5
[M]+	283.09698142	162.2
[M]-	283.09807858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe