CID 20921

4790-82-3

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CNC(=O)OC1=CC=CC2=C1OC=C2

InChI

InChI=1S/C10H9NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-6H,1H3,(H,11,12)

InChIKey

LVKKPBPHGILWOM-UHFFFAOYSA-N

Compound name

1-benzofuran-7-yl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 191.05824 Da
Monoisotopic Mass: 1.9
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]+	192.06552	137.3
[M+Na]+	214.04746	149.8
[M+NH4]+	209.09206	145.8
[M+K]+	230.02140	146.2
[M-H]-	190.05096	140.8
[M+Na-2H]-	212.03291	143.5
[M]+	191.05769	140.0
[M]-	191.05879	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe