CID 3062709

Brn 0230118

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

COC1=CC(=CC(=C1O)OC)C(=O)N2CCCCC2

InChI

InChI=1S/C14H19NO4/c1-18-11-8-10(9-12(19-2)13(11)16)14(17)15-6-4-3-5-7-15/h8-9,16H,3-7H2,1-2H3

InChIKey

YHEWGLDPOYAQIK-UHFFFAOYSA-N

Compound name

(4-hydroxy-3,5-dimethoxyphenyl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.1314 Da
Monoisotopic Mass: 1.8
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]+	266.138676	160.2
[M+Na]+	288.120618	165.8
[M-H]-	264.124124	163.8
[M+NH4]+	283.165223	174.6
[M+K]+	304.094558	163.8
[M+H-H2O]+	248.128660	152.2
[M+HCOO]-	310.129601	177.4
[M+CH3COO]-	324.145251	194.4
[M+Na-2H]-	286.106066	161.6
[M]+	265.13085142	159.2
[M]-	265.13194858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe