CID 12207186

Tert-butyl furan-3-ylcarbamate

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

CC(C)(C)OC(=O)NC1=COC=C1

InChI

InChI=1S/C9H13NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h4-6H,1-3H3,(H,10,11)

InChIKey

SBFLPNJYWRKWFT-UHFFFAOYSA-N

Compound name

tert-butyl N-(furan-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 183.08954 Da
Monoisotopic Mass: 1.6
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]+	184.09682	139.7
[M+Na]+	206.07876	148.7
[M+NH4]+	201.12336	146.6
[M+K]+	222.05270	147.1
[M-H]-	182.08226	141.0
[M+Na-2H]-	204.06421	143.7
[M]+	183.08899	141.0
[M]-	183.09009	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe