CID 272743

Acetic acid 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-isobenzofuran-4-yl ester

Structural Information

Molecular Formula
C10H10O5
SMILES
CC(=O)OC1C=CCC2C1C(=O)OC2=O
InChI
InChI=1S/C10H10O5/c1-5(11)14-7-4-2-3-6-8(7)10(13)15-9(6)12/h2,4,6-8H,3H2,1H3
InChIKey
BALNPNXUDOUFRL-UHFFFAOYSA-N
Compound name
(1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

210.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 141.9
[M+Na]+ 233.04205 151.7
[M+NH4]+ 228.08665 148.8
[M+K]+ 249.01599 149.9
[M-H]- 209.04555 142.8
[M+Na-2H]- 231.02750 143.2
[M]+ 210.05228 143.1
[M]- 210.05338 143.1
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