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
6
Annotation Hits

0
References

10
Patents

142.04524 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.052516 125.6
[M+Na]+ 165.034458 136.3
[M-H]- 141.037964 131.2
[M+NH4]+ 160.079063 149.2
[M+K]+ 181.008398 135.8
[M+H-H2O]+ 125.042500 121.5
[M+HCOO]- 187.043441 145.8
[M+CH3COO]- 201.059091 173.5
[M+Na-2H]- 163.019906 128.8
[M]+ 142.04469142 130.6
[M]- 142.04578858 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