CID 426410

Sodium 1-hydroxy-1,3-propanedisulfonate

Structural Information

Molecular Formula
C3H8O7S2
SMILES
C(CS(=O)(=O)O)C(O)S(=O)(=O)O
InChI
InChI=1S/C3H8O7S2/c4-3(12(8,9)10)1-2-11(5,6)7/h3-4H,1-2H2,(H,5,6,7)(H,8,9,10)
InChIKey
PFEHYGDNXTWNDD-UHFFFAOYSA-N
Compound name
1-hydroxypropane-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.97115 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97843 141.0
[M+Na]+ 242.96037 147.3
[M-H]- 218.96387 136.6
[M+NH4]+ 238.00497 156.6
[M+K]+ 258.93431 144.1
[M+H-H2O]+ 202.96841 136.5
[M+HCOO]- 264.96935 147.9
[M+CH3COO]- 278.98500 172.3
[M+Na-2H]- 240.94582 144.0
[M]+ 219.97060 143.3
[M]- 219.97170 143.3
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