CID 20922

Brn 1375718

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CNC(=O)OC1=CC=CC2=C1OCC2

InChI

InChI=1S/C10H11NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-4H,5-6H2,1H3,(H,11,12)

InChIKey

KZSIVIPKLYWTDQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.0739 Da
Monoisotopic Mass: 1.7
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]+	194.08118	139.8
[M+Na]+	216.06312	150.4
[M+NH4]+	211.10772	148.1
[M+K]+	232.03706	147.2
[M-H]-	192.06662	142.9
[M+Na-2H]-	214.04857	144.1
[M]+	193.07335	141.9
[M]-	193.07445	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe