CID 45694

2-furancarbamic acid, propyl ester

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CCCOC(=O)NC1=CC=CO1

InChI

InChI=1S/C8H11NO3/c1-2-5-12-8(10)9-7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)

InChIKey

PEGNJICWIBQPNA-UHFFFAOYSA-N

Compound name

propyl N-(furan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.0739 Da
Monoisotopic Mass: 1.8
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]+	170.081176	135.1
[M+Na]+	192.063118	142.0
[M-H]-	168.066624	139.4
[M+NH4]+	187.107723	155.6
[M+K]+	208.037058	142.7
[M+H-H2O]+	152.071160	129.3
[M+HCOO]-	214.072101	160.7
[M+CH3COO]-	228.087751	177.8
[M+Na-2H]-	190.048566	141.6
[M]+	169.07335142	137.9
[M]-	169.07444858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe