CID 526185

96631-04-8

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

135
Patents

128.02959 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 123.2
[M+Na]+ 151.018808 132.2
[M-H]- 127.022314 128.3
[M+NH4]+ 146.063413 146.7
[M+K]+ 166.992748 132.5
[M+H-H2O]+ 111.026850 118.8
[M+HCOO]- 173.027791 142.7
[M+CH3COO]- 187.043441 169.1
[M+Na-2H]- 149.004256 126.9
[M]+ 128.02904142 126.4
[M]- 128.03013858 126.4
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