CID 526618

2-methyl-3-(methylthio)furan

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=C(C=CO1)SC
InChI
InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
InChIKey
OQVAOEIMSKZGAL-UHFFFAOYSA-N
Compound name
2-methyl-3-methylsulfanylfuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

727
Patents

128.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 121.8
[M+Na]+ 151.01881 132.0
[M-H]- 127.02231 127.2
[M+NH4]+ 146.06341 145.6
[M+K]+ 166.99275 131.8
[M+H-H2O]+ 111.02685 117.6
[M+HCOO]- 173.02779 142.3
[M+CH3COO]- 187.04344 169.4
[M+Na-2H]- 149.00426 126.0
[M]+ 128.02904 126.0
[M]- 128.03014 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe