CID 131752972

3',4',5'-trimethoxycinnamyl alcohol acetate

Structural Information

Molecular Formula
C14H18O5
SMILES
CC(=O)OC/C=C\C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKey
IMLQOKDTSYBFHF-WAYWQWQTSA-N
Compound name
[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 157.9
[M+Na]+ 289.10464 166.1
[M-H]- 265.10814 161.8
[M+NH4]+ 284.14924 175.1
[M+K]+ 305.07858 165.2
[M+H-H2O]+ 249.11268 151.4
[M+HCOO]- 311.11362 181.3
[M+CH3COO]- 325.12927 197.9
[M+Na-2H]- 287.09009 160.4
[M]+ 266.11487 165.9
[M]- 266.11597 165.9
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

No patent data available for this compound.