CID 11982

Propyl 2-furoate

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CCCOC(=O)C1=CC=CO1

InChI

InChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3

InChIKey

HSCVIIISAAEVQT-UHFFFAOYSA-N

Compound name

propyl furan-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 331
Patents: 154.06299 Da
Monoisotopic Mass: 2.0
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]+	155.07027	130.5
[M+Na]+	177.05221	138.3
[M-H]-	153.05571	134.8
[M+NH4]+	172.09681	152.0
[M+K]+	193.02615	139.2
[M+H-H2O]+	137.06025	125.3
[M+HCOO]-	199.06119	155.1
[M+CH3COO]-	213.07684	173.7
[M+Na-2H]-	175.03766	136.7
[M]+	154.06244	134.2
[M]-	154.06354	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe