CID 14134311

Dihydrocoriandrin

Structural Information

Molecular Formula

C₁₃H₁₂O₄

SMILES

CC1CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC

InChI

InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3

InChIKey

LJCCQQNTPLPSNX-UHFFFAOYSA-N

Compound name

4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 232.07356 Da
Monoisotopic Mass: 2.6
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]+	233.080836	145.5
[M+Na]+	255.062778	156.9
[M-H]-	231.066284	153.4
[M+NH4]+	250.107383	165.5
[M+K]+	271.036718	156.4
[M+H-H2O]+	215.070820	140.5
[M+HCOO]-	277.071761	166.9
[M+CH3COO]-	291.087411	160.5
[M+Na-2H]-	253.048226	153.2
[M]+	232.07301142	151.7
[M]-	232.07410858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe