CID 156609

1,4-benzenediol, 2-methoxy-, diacetate

Structural Information

Molecular Formula
C11H12O5
SMILES
CC(=O)OC1=CC(=C(C=C1)OC(=O)C)OC
InChI
InChI=1S/C11H12O5/c1-7(12)15-9-4-5-10(16-8(2)13)11(6-9)14-3/h4-6H,1-3H3
InChIKey
UWWSJVBSLCCVDT-UHFFFAOYSA-N
Compound name
(4-acetyloxy-3-methoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

224.06847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 144.5
[M+Na]+ 247.05769 152.9
[M-H]- 223.06119 148.8
[M+NH4]+ 242.10229 163.1
[M+K]+ 263.03163 153.2
[M+H-H2O]+ 207.06573 138.5
[M+HCOO]- 269.06667 168.1
[M+CH3COO]- 283.08232 188.6
[M+Na-2H]- 245.04314 148.1
[M]+ 224.06792 150.5
[M]- 224.06902 150.5
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