CID 5453495

197965-28-9

Structural Information

Molecular Formula

C₁₃H₁₂O₄

SMILES

C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)O)O

InChI

InChI=1S/C13H12O4/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h5-6,14-15H,1-4H2

InChIKey

BYWQENRDUAFAAH-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 232.07356 Da
Monoisotopic Mass: 2.1
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]+	233.08084	145.2
[M+Na]+	255.06278	154.7
[M-H]-	231.06628	149.3
[M+NH4]+	250.10738	163.1
[M+K]+	271.03672	151.8
[M+H-H2O]+	215.07082	139.4
[M+HCOO]-	277.07176	162.3
[M+CH3COO]-	291.08741	157.9
[M+Na-2H]-	253.04823	153.1
[M]+	232.07301	145.0
[M]-	232.07411	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe