CID 93864

58632-48-7

Structural Information

Molecular Formula

C₁₃H₁₃NO₄

SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C13H13NO4/c1-3-17-13(16)14-9-4-5-10-8(2)6-12(15)18-11(10)7-9/h4-7H,3H2,1-2H3,(H,14,16)

InChIKey

SGBODDRGQKZBFJ-UHFFFAOYSA-N

Compound name

ethyl N-(4-methyl-2-oxochromen-7-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 247.08446 Da
Monoisotopic Mass: 2.2
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]+	248.09174	152.3
[M+Na]+	270.07368	165.6
[M+NH4]+	265.11828	159.6
[M+K]+	286.04762	160.0
[M-H]-	246.07718	155.8
[M+Na-2H]-	268.05913	157.7
[M]+	247.08391	155.1
[M]-	247.08501	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe