CID 11789993

198341-11-6

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC(C)C1=CC2=C(C=C1)OCCC2=O

InChI

InChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8H,5-6H2,1-2H3

InChIKey

MLPVSWHFLUXLDB-UHFFFAOYSA-N

Compound name

6-propan-2-yl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 190.09938 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]+	191.10666	139.4
[M+Na]+	213.08860	146.9
[M-H]-	189.09210	144.5
[M+NH4]+	208.13320	159.0
[M+K]+	229.06254	145.8
[M+H-H2O]+	173.09664	133.6
[M+HCOO]-	235.09758	158.7
[M+CH3COO]-	249.11323	184.8
[M+Na-2H]-	211.07405	145.6
[M]+	190.09883	139.2
[M]-	190.09993	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe