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
2
Annotation Hits

13
References

1922
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 131.0
[M+Na]+ 177.01920 139.0
[M+NH4]+ 172.06380 137.1
[M+K]+ 192.99314 134.2
[M-H]- 153.02270 127.5
[M+Na-2H]- 175.00465 132.0
[M]+ 154.02943 131.2
[M]- 154.03053 131.2
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