CID 13607859

34818-49-0

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

COC1C2=CC=CC=C2CCO1

InChI

InChI=1S/C10H12O2/c1-11-10-9-5-3-2-4-8(9)6-7-12-10/h2-5,10H,6-7H2,1H3

InChIKey

WDJCAJQOXSPJJF-UHFFFAOYSA-N

Compound name

1-methoxy-3,4-dihydro-1H-isochromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 164.08372 Da
Monoisotopic Mass: 1.6
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]+	165.09100	131.2
[M+Na]+	187.07294	138.6
[M-H]-	163.07644	136.2
[M+NH4]+	182.11754	151.7
[M+K]+	203.04688	138.2
[M+H-H2O]+	147.08098	125.4
[M+HCOO]-	209.08192	152.1
[M+CH3COO]-	223.09757	177.6
[M+Na-2H]-	185.05839	140.5
[M]+	164.08317	131.3
[M]-	164.08427	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe