CID 23158331

864866-90-0

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1(COC2=C(C1=O)C=CC(=C2)O)C

InChI

InChI=1S/C11H12O3/c1-11(2)6-14-9-5-7(12)3-4-8(9)10(11)13/h3-5,12H,6H2,1-2H3

InChIKey

NVYFOTUNFMWXCT-UHFFFAOYSA-N

Compound name

7-hydroxy-3,3-dimethyl-2H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.07864 Da
Monoisotopic Mass: 2.0
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]+	193.08592	138.6
[M+Na]+	215.06786	152.1
[M+NH4]+	210.11246	148.8
[M+K]+	231.04180	144.4
[M-H]-	191.07136	142.1
[M+Na-2H]-	213.05331	145.1
[M]+	192.07809	141.7
[M]-	192.07919	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe