CID 2758026

3098-67-7

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=O)C1=CC(=C(C=C1OC)OC)C(=O)C
InChI
InChI=1S/C12H14O4/c1-7(13)9-5-10(8(2)14)12(16-4)6-11(9)15-3/h5-6H,1-4H3
InChIKey
NSPIPHLQGRBQKJ-UHFFFAOYSA-N
Compound name
1-(5-acetyl-2,4-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 144.8
[M+Na]+ 245.07842 153.6
[M-H]- 221.08192 149.2
[M+NH4]+ 240.12302 163.6
[M+K]+ 261.05236 153.1
[M+H-H2O]+ 205.08646 139.1
[M+HCOO]- 267.08740 167.7
[M+CH3COO]- 281.10305 192.1
[M+Na-2H]- 243.06387 147.2
[M]+ 222.08865 150.2
[M]- 222.08975 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

No patent data available for this compound.