CID 636462

Salfredin b11

Structural Information

Molecular Formula

C₁₃H₁₂O₄

SMILES

CC1(C=CC2=C(O1)C=C3COC(=O)C3=C2O)C

InChI

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

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

Compound name

5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 232.07356 Da
Monoisotopic Mass: 2.5
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	146.3
[M+Na]+	255.062778	157.3
[M-H]-	231.066284	152.8
[M+NH4]+	250.107383	167.5
[M+K]+	271.036718	156.2
[M+H-H2O]+	215.070820	142.1
[M+HCOO]-	277.071761	164.7
[M+CH3COO]-	291.087411	160.5
[M+Na-2H]-	253.048226	153.9
[M]+	232.07301142	149.6
[M]-	232.07410858	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe