CID 15175289

4-hydroxycarbofuran

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC1(CC2=C(C=CC(=C2O1)O)O)C

InChI

InChI=1S/C10H12O3/c1-10(2)5-6-7(11)3-4-8(12)9(6)13-10/h3-4,11-12H,5H2,1-2H3

InChIKey

SLQAZKPVCRVOTB-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3H-1-benzofuran-4,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 180.07864 Da
Monoisotopic Mass: 1.8
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]+	181.08592	134.9
[M+Na]+	203.06786	145.2
[M-H]-	179.07136	138.5
[M+NH4]+	198.11246	157.9
[M+K]+	219.04180	143.4
[M+H-H2O]+	163.07590	131.5
[M+HCOO]-	225.07684	155.1
[M+CH3COO]-	239.09249	176.0
[M+Na-2H]-	201.05331	141.7
[M]+	180.07809	136.1
[M]-	180.07919	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe