CID 5397195

91963-11-0

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)C

InChI

InChI=1S/C12H12O3/c1-6-7(2)12(14)15-11-8(3)10(13)5-4-9(6)11/h4-5,13H,1-3H3

InChIKey

GNBLUSRSAGXTJN-UHFFFAOYSA-N

Compound name

7-hydroxy-3,4,8-trimethylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 204.07864 Da
Monoisotopic Mass: 2.2
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]+	205.08592	139.4
[M+Na]+	227.06786	151.6
[M-H]-	203.07136	145.1
[M+NH4]+	222.11246	159.0
[M+K]+	243.04180	149.5
[M+H-H2O]+	187.07590	134.2
[M+HCOO]-	249.07684	161.3
[M+CH3COO]-	263.09249	186.6
[M+Na-2H]-	225.05331	146.4
[M]+	204.07809	143.7
[M]-	204.07919	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe