CID 33293

26078-24-0

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1=CC2=C(C=C1NC)OC(=O)C=C2C

InChI

InChI=1S/C12H13NO2/c1-7-5-12(14)15-11-6-10(13-3)8(2)4-9(7)11/h4-6,13H,1-3H3

InChIKey

RIZOSFDXIXBLIP-UHFFFAOYSA-N

Compound name

4,6-dimethyl-7-(methylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.09464 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]+	204.10192	141.3
[M+Na]+	226.08386	152.2
[M-H]-	202.08736	147.8
[M+NH4]+	221.12846	161.0
[M+K]+	242.05780	150.3
[M+H-H2O]+	186.09190	135.4
[M+HCOO]-	248.09284	165.5
[M+CH3COO]-	262.10849	190.7
[M+Na-2H]-	224.06931	149.6
[M]+	203.09409	144.8
[M]-	203.09519	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe