CID 3016429

44870-96-4

Structural Information

Molecular Formula
C5H12O4S
SMILES
CC(C)(C)C(O)S(=O)(=O)O
InChI
InChI=1S/C5H12O4S/c1-5(2,3)4(6)10(7,8)9/h4,6H,1-3H3,(H,7,8,9)
InChIKey
ORIIVMJFMLLZLL-UHFFFAOYSA-N
Compound name
1-hydroxy-2,2-dimethylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.04562 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052896 133.1
[M+Na]+ 191.034838 140.5
[M-H]- 167.038344 131.2
[M+NH4]+ 186.079443 152.7
[M+K]+ 207.008778 139.4
[M+H-H2O]+ 151.042880 129.7
[M+HCOO]- 213.043821 146.0
[M+CH3COO]- 227.059471 170.0
[M+Na-2H]- 189.020286 136.9
[M]+ 168.04507142 134.9
[M]- 168.04616858 134.9
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