CID 1233903

62756-24-5

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

CN1CCC2(CC1)CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3

InChIKey

DCENWWFAIVPRAC-UHFFFAOYSA-N

Compound name

1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 65
Patents: 231.12593 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]+	232.133206	151.6
[M+Na]+	254.115148	158.4
[M-H]-	230.118654	156.7
[M+NH4]+	249.159753	170.0
[M+K]+	270.089088	156.1
[M+H-H2O]+	214.123190	143.5
[M+HCOO]-	276.124131	166.8
[M+CH3COO]-	290.139781	163.1
[M+Na-2H]-	252.100596	158.5
[M]+	231.12538142	147.2
[M]-	231.12647858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe