CID 13136513

40568-08-9

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC

InChI

InChI=1S/C11H11NO2/c1-7-5-11(13)14-10-6-8(12-2)3-4-9(7)10/h3-6,12H,1-2H3

InChIKey

LKJDPYZBJFUZNS-UHFFFAOYSA-N

Compound name

4-methyl-7-(methylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 189.07898 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]+	190.086256	136.6
[M+Na]+	212.068198	147.0
[M-H]-	188.071704	142.9
[M+NH4]+	207.112803	156.5
[M+K]+	228.042138	145.2
[M+H-H2O]+	172.076240	130.6
[M+HCOO]-	234.077181	161.2
[M+CH3COO]-	248.092831	186.4
[M+Na-2H]-	210.053646	146.2
[M]+	189.07843142	139.3
[M]-	189.07952858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe