CID 367928

Nsc638127

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CN(C)C1=CC2=CC=CC=C2OC1=O

InChI

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

InChIKey

VCQPHZSXAHONHF-UHFFFAOYSA-N

Compound name

3-(dimethylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 246
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]+	190.08626	136.6
[M+Na]+	212.06820	146.1
[M-H]-	188.07170	143.9
[M+NH4]+	207.11280	156.8
[M+K]+	228.04214	145.8
[M+H-H2O]+	172.07624	130.2
[M+HCOO]-	234.07718	161.7
[M+CH3COO]-	248.09283	188.7
[M+Na-2H]-	210.05365	146.1
[M]+	189.07843	140.1
[M]-	189.07953	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe