CID 15279

Decarbofuran

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC1CC2=C(O1)C(=CC=C2)OC(=O)NC

InChI

InChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13)

InChIKey

JTBBRGSSVACAJM-UHFFFAOYSA-N

Compound name

(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5881
Patents: 207.08954 Da
Monoisotopic Mass: 2.1
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]+	208.096816	143.6
[M+Na]+	230.078758	151.5
[M-H]-	206.082264	149.1
[M+NH4]+	225.123363	164.1
[M+K]+	246.052698	151.0
[M+H-H2O]+	190.086800	138.1
[M+HCOO]-	252.087741	166.7
[M+CH3COO]-	266.103391	187.0
[M+Na-2H]-	228.064206	149.3
[M]+	207.08899142	145.8
[M]-	207.09008858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe