CID 71587144

Furfuryl decanoate

Structural Information

Molecular Formula

C₁₅H₂₄O₃

SMILES

CCCCCCCCCC(=O)OCC1=CC=CO1

InChI

InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-15(16)18-13-14-10-9-12-17-14/h9-10,12H,2-8,11,13H2,1H3

InChIKey

ATRAUOWSKCEACM-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl decanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 252.17255 Da
Monoisotopic Mass: 4.8
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]+	253.179826	163.9
[M+Na]+	275.161768	168.7
[M-H]-	251.165274	166.9
[M+NH4]+	270.206373	181.4
[M+K]+	291.135708	167.7
[M+H-H2O]+	235.169810	157.3
[M+HCOO]-	297.170751	186.1
[M+CH3COO]-	311.186401	194.7
[M+Na-2H]-	273.147216	166.2
[M]+	252.17200142	170.2
[M]-	252.17309858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe