CID 14471962

131526-88-0

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1CC2=C(C1)C(=O)OC3=C2C=C(C=C3)O

InChI

InChI=1S/C12H10O3/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,13H,1-3H2

InChIKey

LYCZVRBMNHDJRO-UHFFFAOYSA-N

Compound name

8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 202.06299 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]+	203.07027	138.7
[M+Na]+	225.05221	152.8
[M+NH4]+	220.09681	148.4
[M+K]+	241.02615	148.2
[M-H]-	201.05571	142.6
[M+Na-2H]-	223.03766	143.8
[M]+	202.06244	141.9
[M]-	202.06354	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe