CID 11073737

16982-86-8

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC1COC2=CC=CC=C2C1=O

InChI

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

InChIKey

PYKLMHVJWGDWOH-UHFFFAOYSA-N

Compound name

3-methyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 162.06808 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]+	163.07536	130.7
[M+Na]+	185.05730	145.0
[M+NH4]+	180.10190	140.6
[M+K]+	201.03124	138.2
[M-H]-	161.06080	135.2
[M+Na-2H]-	183.04275	137.2
[M]+	162.06753	134.1
[M]-	162.06863	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe