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

61
Patents

238.08412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.091396 147.9
[M+Na]+ 261.073338 156.7
[M-H]- 237.076844 152.3
[M+NH4]+ 256.117943 166.1
[M+K]+ 277.047278 156.8
[M+H-H2O]+ 221.081380 141.9
[M+HCOO]- 283.082321 171.0
[M+CH3COO]- 297.097971 193.5
[M+Na-2H]- 259.058786 150.3
[M]+ 238.08357142 154.7
[M]- 238.08466858 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