CID 214632

4h-1-benzopyran-2-carboxamide, 3-methyl-4-oxo-

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

CC1=C(OC2=CC=CC=C2C1=O)C(=O)N

InChI

InChI=1S/C11H9NO3/c1-6-9(13)7-4-2-3-5-8(7)15-10(6)11(12)14/h2-5H,1H3,(H2,12,14)

InChIKey

JCINESCNVGKCDY-UHFFFAOYSA-N

Compound name

3-methyl-4-oxochromene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.05824 Da
Monoisotopic Mass: 1.0
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	140.0
[M+Na]+	226.04746	153.9
[M+NH4]+	221.09206	148.1
[M+K]+	242.02140	148.4
[M-H]-	202.05096	143.9
[M+Na-2H]-	224.03291	146.0
[M]+	203.05769	143.0
[M]-	203.05879	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe