CID 119087375

[5-(sulfanylmethyl)furan-2-yl]methanol

Structural Information

Molecular Formula
C6H8O2S
SMILES
C1=C(OC(=C1)CS)CO
InChI
InChI=1S/C6H8O2S/c7-3-5-1-2-6(4-9)8-5/h1-2,7,9H,3-4H2
InChIKey
PIDBCHBMTBOAIM-UHFFFAOYSA-N
Compound name
[5-(sulfanylmethyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0245 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03178 127.2
[M+Na]+ 167.01372 138.4
[M+NH4]+ 162.05832 136.3
[M+K]+ 182.98766 133.0
[M-H]- 143.01722 129.8
[M+Na-2H]- 164.99917 131.5
[M]+ 144.02395 129.9
[M]- 144.02505 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.