CID 15128425

5-methylfuran-3-thiol

Structural Information

Molecular Formula
C5H6OS
SMILES
CC1=CC(=CO1)S
InChI
InChI=1S/C5H6OS/c1-4-2-5(7)3-6-4/h2-3,7H,1H3
InChIKey
HHVWAQYIXICMLT-UHFFFAOYSA-N
Compound name
5-methylfuran-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

114.01394 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.02122 119.1
[M+Na]+ 137.00316 131.6
[M+NH4]+ 132.04776 129.3
[M+K]+ 152.97710 125.6
[M-H]- 113.00666 122.9
[M+Na-2H]- 134.98861 124.7
[M]+ 114.01339 122.5
[M]- 114.01449 122.5
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