CID 6232217

Tetrahydrofurfuryl cinnamate

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

C1CC(OC1)COC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H16O3/c15-14(17-11-13-7-4-10-16-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+

InChIKey

QCMSQCLNALBZOD-CMDGGOBGSA-N

Compound name

oxolan-2-ylmethyl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 110
Patents: 232.10994 Da
Monoisotopic Mass: 2.6
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]+	233.117216	153.5
[M+Na]+	255.099158	158.4
[M-H]-	231.102664	159.9
[M+NH4]+	250.143763	171.2
[M+K]+	271.073098	156.9
[M+H-H2O]+	215.107200	146.7
[M+HCOO]-	277.108141	174.9
[M+CH3COO]-	291.123791	186.6
[M+Na-2H]-	253.084606	156.7
[M]+	232.10939142	153.2
[M]-	232.11048858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe