CID 6257227

3,4-dimethoxy benzylidene pinacolone

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)(C)C(=O)/C=C/C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C15H20O3/c1-15(2,3)14(16)9-7-11-6-8-12(17-4)13(10-11)18-5/h6-10H,1-5H3/b9-7+
InChIKey
DUOQAPIZFRFCLJ-VQHVLOKHSA-N
Compound name
(E)-1-(3,4-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

45
Patents

248.14125 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.2
[M+Na]+ 271.13047 169.9
[M+NH4]+ 266.17507 165.0
[M+K]+ 287.10441 164.2
[M-H]- 247.13397 158.7
[M+Na-2H]- 269.11592 163.1
[M]+ 248.14070 160.0
[M]- 248.14180 160.0
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