CID 10241108

55581-62-9

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC1=C(OC2=CC=CC=C12)CO

InChI

InChI=1S/C10H10O2/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,11H,6H2,1H3

InChIKey

BPIHBHUOKWCMGZ-UHFFFAOYSA-N

Compound name

(3-methyl-1-benzofuran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 162.06808 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]+	163.075356	129.4
[M+Na]+	185.057298	140.5
[M-H]-	161.060804	134.5
[M+NH4]+	180.101903	151.9
[M+K]+	201.031238	138.6
[M+H-H2O]+	145.065340	125.0
[M+HCOO]-	207.066281	153.9
[M+CH3COO]-	221.081931	175.1
[M+Na-2H]-	183.042746	138.0
[M]+	162.06753142	133.2
[M]-	162.06862858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe