CID 526185

1-(furan-2-yl)ethane-1-thiol

Structural Information

Molecular Formula
C6H8OS
SMILES
CC(C1=CC=CO1)S
InChI
InChI=1S/C6H8OS/c1-5(8)6-3-2-4-7-6/h2-5,8H,1H3
InChIKey
PIIMQPHZYYVEMS-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

128.02959 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 124.0
[M+Na]+ 151.01881 135.6
[M+NH4]+ 146.06341 134.0
[M+K]+ 166.99275 130.0
[M-H]- 127.02231 127.5
[M+Na-2H]- 149.00426 129.3
[M]+ 128.02904 127.1
[M]- 128.03014 127.1
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