CID 3019411

83846-82-6

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

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

InChI

InChI=1S/C15H21NO3/c1-3-19-14(17)16-10-8-15(18,9-11-16)13-6-4-12(2)5-7-13/h4-7,18H,3,8-11H2,1-2H3

InChIKey

WEOTZCSUBYPPFJ-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.15213 Da
Monoisotopic Mass: 2.0
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]+	264.159406	162.2
[M+Na]+	286.141348	167.7
[M-H]-	262.144854	165.7
[M+NH4]+	281.185953	178.7
[M+K]+	302.115288	165.2
[M+H-H2O]+	246.149390	154.9
[M+HCOO]-	308.150331	179.0
[M+CH3COO]-	322.165981	192.8
[M+Na-2H]-	284.126796	164.9
[M]+	263.15158142	160.0
[M]-	263.15267858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe