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
4
Annotation Hits

0
References

90
Patents

232.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 154.2
[M+Na]+ 255.09916 165.0
[M+NH4]+ 250.14376 161.9
[M+K]+ 271.07310 160.4
[M-H]- 231.10266 158.0
[M+Na-2H]- 253.08461 159.7
[M]+ 232.10939 156.6
[M]- 232.11049 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe