CID 13262

6-acetamidocoumarin

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

CC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2

InChI

InChI=1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)

InChIKey

UCNNBCBFCASUHR-UHFFFAOYSA-N

Compound name

N-(2-oxochromen-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 203.05824 Da
Monoisotopic Mass: 0.6
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]+	204.06552	140.1
[M+Na]+	226.04746	153.9
[M+NH4]+	221.09206	148.3
[M+K]+	242.02140	148.0
[M-H]-	202.05096	144.1
[M+Na-2H]-	224.03291	146.7
[M]+	203.05769	143.1
[M]-	203.05879	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe