CID 15781

1-(3,4-dimethoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C11H14O3
SMILES
CCC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3
InChIKey
SBMSBQOMJGZBRY-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

145
Patents

194.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.1
[M+Na]+ 217.08352 153.8
[M+NH4]+ 212.12812 149.0
[M+K]+ 233.05746 147.9
[M-H]- 193.08702 142.6
[M+Na-2H]- 215.06897 147.2
[M]+ 194.09375 143.3
[M]- 194.09485 143.3
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