CID 21485219

3,3-dimethyl-2,3-dihydro-1-benzofuran-6-ol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1(COC2=C1C=CC(=C2)O)C

InChI

InChI=1S/C10H12O2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,11H,6H2,1-2H3

InChIKey

KNDBEMPTKKKYOJ-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2H-1-benzofuran-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 164.08372 Da
Monoisotopic Mass: 2.4
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]+	165.09100	131.7
[M+Na]+	187.07294	141.6
[M-H]-	163.07644	136.4
[M+NH4]+	182.11754	155.9
[M+K]+	203.04688	140.2
[M+H-H2O]+	147.08098	127.9
[M+HCOO]-	209.08192	153.2
[M+CH3COO]-	223.09757	175.2
[M+Na-2H]-	185.05839	139.5
[M]+	164.08317	132.8
[M]-	164.08427	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe