CID 96391

26978-64-3

Structural Information

Molecular Formula
C4H10O4S
SMILES
C(CCS(=O)(=O)O)CO
InChI
InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)
InChIKey
YEGPVWSPNYPPIK-UHFFFAOYSA-N
Compound name
4-hydroxybutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

5607
Patents

154.02998 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03726 129.0
[M+Na]+ 177.01920 136.6
[M-H]- 153.02270 126.8
[M+NH4]+ 172.06380 149.0
[M+K]+ 192.99314 134.8
[M+H-H2O]+ 137.02724 124.9
[M+HCOO]- 199.02818 144.6
[M+CH3COO]- 213.04383 166.3
[M+Na-2H]- 175.00465 133.3
[M]+ 154.02943 131.5
[M]- 154.03053 131.5
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

No patent data available for this compound.