CID 135421536

23580-15-6

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CC(=NC1=CC=CC=C1)C2=C(COC2=O)O

InChI

InChI=1S/C12H11NO3/c1-8(11-10(14)7-16-12(11)15)13-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3

InChIKey

HTVHSYGEKVVAOF-UHFFFAOYSA-N

Compound name

3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 217.0739 Da
Monoisotopic Mass: 1.3
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]+	218.08118	145.8
[M+Na]+	240.06312	153.4
[M-H]-	216.06662	153.7
[M+NH4]+	235.10772	164.4
[M+K]+	256.03706	152.2
[M+H-H2O]+	200.07116	139.4
[M+HCOO]-	262.07210	170.4
[M+CH3COO]-	276.08775	188.1
[M+Na-2H]-	238.04857	150.2
[M]+	217.07335	146.4
[M]-	217.07445	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.