CID 94232

Tetrahydrofurfuryl acrylate

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C=CC(=O)OCC1CCCO1

InChI

InChI=1S/C8H12O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7H,1,3-6H2

InChIKey

YNXCGLKMOXLBOD-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 26950
Patents: 156.07864 Da
Monoisotopic Mass: 1.1
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]+	157.085916	133.1
[M+Na]+	179.067858	139.1
[M-H]-	155.071364	136.7
[M+NH4]+	174.112463	154.2
[M+K]+	195.041798	139.8
[M+H-H2O]+	139.075900	128.0
[M+HCOO]-	201.076841	154.9
[M+CH3COO]-	215.092491	173.5
[M+Na-2H]-	177.053306	137.4
[M]+	156.07809142	133.2
[M]-	156.07918858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe