CID 25032

Compound 69/20

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)N

InChI

InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)

InChIKey

UVEVMKODWDQIAN-UHFFFAOYSA-N

Compound name

2H-chromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 103
Patents: 175.06332 Da
Monoisotopic Mass: 0.8
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]+	176.07060	134.0
[M+Na]+	198.05254	141.5
[M-H]-	174.05604	138.8
[M+NH4]+	193.09714	153.3
[M+K]+	214.02648	140.3
[M+H-H2O]+	158.06058	127.9
[M+HCOO]-	220.06152	155.8
[M+CH3COO]-	234.07717	181.5
[M+Na-2H]-	196.03799	142.2
[M]+	175.06277	132.5
[M]-	175.06387	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe