CID 21616

5463-50-3

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=C2C(=C(C=C1)C)C(=O)OC2=O
InChI
InChI=1S/C10H8O3/c1-5-3-4-6(2)8-7(5)9(11)13-10(8)12/h3-4H,1-2H3
InChIKey
WEPCDISQBQXOBE-UHFFFAOYSA-N
Compound name
4,7-dimethyl-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

196
Patents

176.04735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 132.9
[M+Na]+ 199.03657 146.3
[M+NH4]+ 194.08117 141.6
[M+K]+ 215.01051 142.5
[M-H]- 175.04007 135.9
[M+Na-2H]- 197.02202 137.2
[M]+ 176.04680 135.6
[M]- 176.04790 135.6
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