CID 3049519

4h-1-benzopyran-4-one, 2-(dimethylamino)-6-methyl-

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

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

InChI

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

InChIKey

KHCVXMADCKNNAP-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-6-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	204.101916	141.2
[M+Na]+	226.083858	151.2
[M-H]-	202.087364	148.7
[M+NH4]+	221.128463	161.1
[M+K]+	242.057798	150.7
[M+H-H2O]+	186.091900	134.8
[M+HCOO]-	248.092841	165.9
[M+CH3COO]-	262.108491	192.9
[M+Na-2H]-	224.069306	149.4
[M]+	203.09409142	145.4
[M]-	203.09518858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe