CID 89275987

2155856-63-4

Structural Information

Molecular Formula
C8H6O3S
SMILES
CC1=C2C(=C(S1)C)C(=O)OC2=O
InChI
InChI=1S/C8H6O3S/c1-3-5-6(4(2)12-3)8(10)11-7(5)9/h1-2H3
InChIKey
OTWYREGVOYREQQ-UHFFFAOYSA-N
Compound name
4,6-dimethylthieno[3,4-c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.00377 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01105 133.8
[M+Na]+ 204.99299 146.5
[M-H]- 180.99649 140.9
[M+NH4]+ 200.03759 158.8
[M+K]+ 220.96693 145.5
[M+H-H2O]+ 165.00103 131.4
[M+HCOO]- 227.00197 153.8
[M+CH3COO]- 241.01762 179.3
[M+Na-2H]- 202.97844 135.4
[M]+ 182.00322 140.0
[M]- 182.00432 140.0
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