CID 209443

N-(2,3-dimercaptopropyl)taurine sodium salt

Structural Information

Molecular Formula
C5H13NO3S3
SMILES
C(CS(=O)(=O)O)NCC(CS)S
InChI
InChI=1S/C5H13NO3S3/c7-12(8,9)2-1-6-3-5(11)4-10/h5-6,10-11H,1-4H2,(H,7,8,9)
InChIKey
BCPCILQOSJFUSX-UHFFFAOYSA-N
Compound name
2-[2,3-bis(sulfanyl)propylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.00575 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01303 148.6
[M+Na]+ 253.99497 153.8
[M+NH4]+ 249.03957 155.0
[M+K]+ 269.96891 146.1
[M-H]- 229.99847 146.5
[M+Na-2H]- 251.98042 147.9
[M]+ 231.00520 149.8
[M]- 231.00630 149.8
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