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

93
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 153.5
[M+Na]+ 255.09916 158.4
[M-H]- 231.10266 159.9
[M+NH4]+ 250.14376 171.2
[M+K]+ 271.07310 156.9
[M+H-H2O]+ 215.10720 146.7
[M+HCOO]- 277.10814 174.9
[M+CH3COO]- 291.12379 186.6
[M+Na-2H]- 253.08461 156.7
[M]+ 232.10939 153.2
[M]- 232.11049 153.2
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