CID 61166

Furfuryl propionate

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CCC(=O)OCC1=CC=CO1

InChI

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

InChIKey

LGBXNZSSTFWRFS-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl propanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 412
Patents: 154.06299 Da
Monoisotopic Mass: 1.2
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