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]+ 183.011046 133.8
[M+Na]+ 204.992988 146.5
[M-H]- 180.996494 140.9
[M+NH4]+ 200.037593 158.8
[M+K]+ 220.966928 145.5
[M+H-H2O]+ 165.001030 131.4
[M+HCOO]- 227.001971 153.8
[M+CH3COO]- 241.017621 179.3
[M+Na-2H]- 202.978436 135.4
[M]+ 182.00322142 140.0
[M]- 182.00431858 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