CID 518937

Furfuryl methyl sulfide

Structural Information

Molecular Formula
C6H8OS
SMILES
CSCC1=CC=CO1
InChI
InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey
SKSFHXVDHVKIBN-UHFFFAOYSA-N
Compound name
2-(methylsulfanylmethyl)furan
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

619
Patents

128.02959 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 123.6
[M+Na]+ 151.01881 135.6
[M+NH4]+ 146.06341 133.7
[M+K]+ 166.99275 129.2
[M-H]- 127.02231 127.3
[M+Na-2H]- 149.00426 129.3
[M]+ 128.02904 126.9
[M]- 128.03014 126.9
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