CID 143990

2,5-dimethyl-3-(methylthio)furan

Structural Information

Molecular Formula
C7H10OS
SMILES
CC1=CC(=C(O1)C)SC
InChI
InChI=1S/C7H10OS/c1-5-4-7(9-3)6(2)8-5/h4H,1-3H3
InChIKey
DWAOFMNMQUXUGG-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-methylsulfanylfuran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8
Patents

142.04524 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 127.9
[M+Na]+ 165.03446 140.4
[M+NH4]+ 160.07906 137.8
[M+K]+ 181.00840 134.1
[M-H]- 141.03796 131.6
[M+Na-2H]- 163.01991 132.8
[M]+ 142.04469 131.3
[M]- 142.04579 131.3
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