CID 548261

4-sulfanylbutan-1-ol

Structural Information

Molecular Formula
C4H10OS
SMILES
C(CCS)CO
InChI
InChI=1S/C4H10OS/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey
NEJMTSWXTZREOC-UHFFFAOYSA-N
Compound name
4-sulfanylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6119
Patents

106.045235 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05251 119.2
[M+Na]+ 129.03445 126.8
[M-H]- 105.03796 118.6
[M+NH4]+ 124.07906 142.3
[M+K]+ 145.00839 125.7
[M+H-H2O]+ 89.042495 115.1
[M+HCOO]- 151.04344 136.9
[M+CH3COO]- 165.05909 164.4
[M+Na-2H]- 127.01990 123.2
[M]+ 106.04469 121.3
[M]- 106.04578 121.3
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