CID 6867

87-01-4

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C

InChI

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

InChIKey

GZEYLLPOQRZUDF-UHFFFAOYSA-N

Compound name

7-(dimethylamino)-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 2231
Patents: 203.09464 Da
Monoisotopic Mass: 2.4
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	141.2
[M+Na]+	226.08386	151.2
[M-H]-	202.08736	148.7
[M+NH4]+	221.12846	161.1
[M+K]+	242.05780	150.7
[M+H-H2O]+	186.09190	134.8
[M+HCOO]-	248.09284	165.9
[M+CH3COO]-	262.10849	192.9
[M+Na-2H]-	224.06931	149.4
[M]+	203.09409	145.4
[M]-	203.09519	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe