CID 378233

2,3-dimethylchromone

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1=C(OC2=CC=CC=C2C1=O)C

InChI

InChI=1S/C11H10O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3

InChIKey

KQLDYIIDXBUUCK-UHFFFAOYSA-N

Compound name

2,3-dimethylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 51
Patents: 174.06808 Da
Monoisotopic Mass: 2.3
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]+	175.07536	131.3
[M+Na]+	197.05730	142.6
[M-H]-	173.06080	137.7
[M+NH4]+	192.10190	152.2
[M+K]+	213.03124	141.0
[M+H-H2O]+	157.06534	125.8
[M+HCOO]-	219.06628	154.9
[M+CH3COO]-	233.08193	181.5
[M+Na-2H]-	195.04275	140.7
[M]+	174.06753	134.8
[M]-	174.06863	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe