CID 84153

14002-89-2

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2C

InChI

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

InChIKey

VSSFMDMVOWSDBX-UHFFFAOYSA-N

Compound name

4,6-dimethylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 174.06808 Da
Monoisotopic Mass: 2.2
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