CID 117038

7-(ethylamino)coumarin

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CCNC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C11H11NO2/c1-2-12-9-5-3-8-4-6-11(13)14-10(8)7-9/h3-7,12H,2H2,1H3

InChIKey

LQDAIRJFZNQMNK-UHFFFAOYSA-N

Compound name

7-(ethylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 189.07898 Da
Monoisotopic Mass: 2.3
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	146.0
[M-H]-	188.07170	142.4
[M+NH4]+	207.11280	156.1
[M+K]+	228.04214	144.2
[M+H-H2O]+	172.07624	130.4
[M+HCOO]-	234.07718	161.2
[M+CH3COO]-	248.09283	185.2
[M+Na-2H]-	210.05365	146.9
[M]+	189.07843	138.9
[M]-	189.07953	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe