CID 184920

1,4-bis(sulfanyl)butan-2-ol

Structural Information

Molecular Formula
C4H10OS2
SMILES
C(CS)C(CS)O
InChI
InChI=1S/C4H10OS2/c5-4(3-7)1-2-6/h4-7H,1-3H2
InChIKey
FYGHZYCYGRNJGD-UHFFFAOYSA-N
Compound name
1,4-bis(sulfanyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

138.0173 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02458 124.5
[M+Na]+ 161.00652 131.5
[M-H]- 137.01002 123.5
[M+NH4]+ 156.05112 146.0
[M+K]+ 176.98046 129.0
[M+H-H2O]+ 121.01456 119.8
[M+HCOO]- 183.01550 135.0
[M+CH3COO]- 197.03115 170.4
[M+Na-2H]- 158.99197 124.7
[M]+ 138.01675 126.5
[M]- 138.01785 126.5
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

patents stripe