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
6
Annotation Hits

1
References

561
Patents

128.02959 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 122.4
[M+Na]+ 151.018808 131.8
[M-H]- 127.022314 127.5
[M+NH4]+ 146.063413 146.0
[M+K]+ 166.992748 131.6
[M+H-H2O]+ 111.026850 118.0
[M+HCOO]- 173.027791 143.0
[M+CH3COO]- 187.043441 168.3
[M+Na-2H]- 149.004256 127.3
[M]+ 128.02904142 126.3
[M]- 128.03013858 126.3
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