CID 112575

4-hydroxy-2-butanesulfonic acid

Structural Information

Molecular Formula
C4H10O4S
SMILES
CC(CCO)S(=O)(=O)O
InChI
InChI=1S/C4H10O4S/c1-4(2-3-5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)
InChIKey
LCWMHNKAZGZKAQ-UHFFFAOYSA-N
Compound name
4-hydroxybutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

154.02998 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03726 131.1
[M+Na]+ 177.01920 138.7
[M+NH4]+ 172.06380 137.1
[M+K]+ 192.99314 134.7
[M-H]- 153.02270 127.4
[M+Na-2H]- 175.00465 131.8
[M]+ 154.02943 131.1
[M]- 154.03053 131.1
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

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