CID 3015410

4-acetyl-2,6-dimethoxyphenyl acetate

Structural Information

Molecular Formula
C12H14O5
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)OC(=O)C)OC
InChI
InChI=1S/C12H14O5/c1-7(13)9-5-10(15-3)12(17-8(2)14)11(6-9)16-4/h5-6H,1-4H3
InChIKey
SUFHOFZQYXKUCA-UHFFFAOYSA-N
Compound name
(4-acetyl-2,6-dimethoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

238.08412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 147.9
[M+Na]+ 261.07334 156.7
[M-H]- 237.07684 152.3
[M+NH4]+ 256.11794 166.1
[M+K]+ 277.04728 156.8
[M+H-H2O]+ 221.08138 141.9
[M+HCOO]- 283.08232 171.0
[M+CH3COO]- 297.09797 193.5
[M+Na-2H]- 259.05879 150.3
[M]+ 238.08357 154.7
[M]- 238.08467 154.7
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