CID 90584

24687-42-1

Structural Information

Molecular Formula
C4H10O3S2
SMILES
C(CCS(=O)(=O)O)CS
InChI
InChI=1S/C4H10O3S2/c5-9(6,7)4-2-1-3-8/h8H,1-4H2,(H,5,6,7)
InChIKey
ISOQNEPBGIJCLU-UHFFFAOYSA-N
Compound name
4-sulfanylbutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1173
Patents

170.00714 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.014416 132.4
[M+Na]+ 192.996358 140.2
[M-H]- 168.999864 131.4
[M+NH4]+ 188.040963 152.5
[M+K]+ 208.970298 137.1
[M+H-H2O]+ 153.004400 127.8
[M+HCOO]- 215.005341 143.4
[M+CH3COO]- 229.020991 172.0
[M+Na-2H]- 190.981806 134.5
[M]+ 170.00659142 135.9
[M]- 170.00768858 135.9
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

patents stripe