CID 102246983

3',4',5'-trimethoxycinnamyl alcohol

Structural Information

Molecular Formula
C12H16O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\CO
InChI
InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3/b5-4-
InChIKey
HZDDMDAKGIRCPP-PLNGDYQASA-N
Compound name
(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

224.10486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 147.8
[M+Na]+ 247.09408 156.5
[M-H]- 223.09758 150.6
[M+NH4]+ 242.13868 166.2
[M+K]+ 263.06802 154.6
[M+H-H2O]+ 207.10212 142.0
[M+HCOO]- 269.10306 171.0
[M+CH3COO]- 283.11871 187.9
[M+Na-2H]- 245.07953 152.0
[M]+ 224.10431 153.2
[M]- 224.10541 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