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]+ 267.122696 157.9
[M+Na]+ 289.104638 166.1
[M-H]- 265.108144 161.8
[M+NH4]+ 284.149243 175.1
[M+K]+ 305.078578 165.2
[M+H-H2O]+ 249.112680 151.4
[M+HCOO]- 311.113621 181.3
[M+CH3COO]- 325.129271 197.9
[M+Na-2H]- 287.090086 160.4
[M]+ 266.11487142 165.9
[M]- 266.11596858 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.