CID 200101

1-(3,4,5-trimethoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C12H16O4
SMILES
CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C12H16O4/c1-5-9(13)8-6-10(14-2)12(16-4)11(7-8)15-3/h6-7H,5H2,1-4H3
InChIKey
FNFSOYGIQWSIEX-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

224.10486 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 148.2
[M+Na]+ 247.09408 160.6
[M+NH4]+ 242.13868 155.3
[M+K]+ 263.06802 155.3
[M-H]- 223.09758 149.2
[M+Na-2H]- 245.07953 153.4
[M]+ 224.10431 150.2
[M]- 224.10541 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe