CID 117299

3,4-dihydro-4-methyl-1h-2-benzopyran

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1COCC2=CC=CC=C12

InChI

InChI=1S/C10H12O/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3

InChIKey

KFOXDILMEHCWMS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 148.08882 Da
Monoisotopic Mass: 1.9
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]+	149.09610	128.7
[M+Na]+	171.07804	143.1
[M+NH4]+	166.12264	139.5
[M+K]+	187.05198	135.6
[M-H]-	147.08154	133.9
[M+Na-2H]-	169.06349	136.0
[M]+	148.08827	132.4
[M]-	148.08937	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe