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

9
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 125.6
[M+Na]+ 165.03446 136.3
[M-H]- 141.03796 131.2
[M+NH4]+ 160.07906 149.2
[M+K]+ 181.00840 135.8
[M+H-H2O]+ 125.04250 121.5
[M+HCOO]- 187.04344 145.8
[M+CH3COO]- 201.05909 173.5
[M+Na-2H]- 163.01991 128.8
[M]+ 142.04469 130.6
[M]- 142.04579 130.6
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