CID 915272

54536-29-7

Structural Information

Molecular Formula

C₁₇H₂₁NO₃

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3CCCCC3

InChI

InChI=1S/C17H21NO3/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3

InChIKey

HXLHJAZHIGHCJV-UHFFFAOYSA-N

Compound name

4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 287.15213 Da
Monoisotopic Mass: 3.1
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]+	288.15941	166.4
[M+Na]+	310.14135	172.9
[M-H]-	286.14485	172.5
[M+NH4]+	305.18595	180.2
[M+K]+	326.11529	170.2
[M+H-H2O]+	270.14939	157.2
[M+HCOO]-	332.15033	183.6
[M+CH3COO]-	346.16598	201.3
[M+Na-2H]-	308.12680	171.4
[M]+	287.15158	166.6
[M]-	287.15268	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe