CID 61183

Tetrahydrofurfuryl propionate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CCC(=O)OCC1CCCO1

InChI

InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3

InChIKey

FMKCDSXOYLTWBR-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl propanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 391
Patents: 158.0943 Da
Monoisotopic Mass: 1.0
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]+	159.10158	134.4
[M+Na]+	181.08352	140.1
[M-H]-	157.08702	138.0
[M+NH4]+	176.12812	155.5
[M+K]+	197.05746	141.4
[M+H-H2O]+	141.09156	129.3
[M+HCOO]-	203.09250	156.0
[M+CH3COO]-	217.10815	174.4
[M+Na-2H]-	179.06897	138.7
[M]+	158.09375	135.3
[M]-	158.09485	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe