CID 5688256

23251-28-7

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C12H12O3/c1-7(2)10-6-12(14)15-11-5-8(13)3-4-9(10)11/h3-7,13H,1-2H3

InChIKey

ZPZNGNXYGLIIKR-UHFFFAOYSA-N

Compound name

7-hydroxy-4-propan-2-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 204.07864 Da
Monoisotopic Mass: 2.7
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	140.8
[M+Na]+	227.06786	155.5
[M+NH4]+	222.11246	149.4
[M+K]+	243.04180	149.6
[M-H]-	203.07136	144.4
[M+Na-2H]-	225.05331	146.9
[M]+	204.07809	144.0
[M]-	204.07919	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe