CID 52903616

1351643-18-9

Structural Information

Molecular Formula

C₁₆H₁₉NO₃

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3CCNCC3

InChI

InChI=1S/C16H19NO3/c1-11-8-16(18)20-15-9-13(2-3-14(11)15)19-10-12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7,10H2,1H3

InChIKey

FSCCUOZAEKUUSN-UHFFFAOYSA-N

Compound name

4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 273.1365 Da
Monoisotopic Mass: 2.5
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]+	274.143776	162.0
[M+Na]+	296.125718	168.6
[M-H]-	272.129224	167.0
[M+NH4]+	291.170323	175.7
[M+K]+	312.099658	165.2
[M+H-H2O]+	256.133760	153.4
[M+HCOO]-	318.134701	178.2
[M+CH3COO]-	332.150351	172.7
[M+Na-2H]-	294.111166	167.2
[M]+	273.13595142	160.2
[M]-	273.13704858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.