CID 10966885

133986-51-3

Structural Information

Molecular Formula
C4H11NO7S2
SMILES
C(CS(=O)(=O)O)N(CCS(=O)(=O)O)O
InChI
InChI=1S/C4H11NO7S2/c6-5(1-3-13(7,8)9)2-4-14(10,11)12/h6H,1-4H2,(H,7,8,9)(H,10,11,12)
InChIKey
KDWGEPODFRBACT-UHFFFAOYSA-N
Compound name
2-[hydroxy(2-sulfoethyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1268
Patents

248.9977 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00498 148.0
[M+Na]+ 271.98692 153.3
[M-H]- 247.99042 144.6
[M+NH4]+ 267.03152 162.8
[M+K]+ 287.96086 150.5
[M+H-H2O]+ 231.99496 142.5
[M+HCOO]- 293.99590 156.9
[M+CH3COO]- 308.01155 182.6
[M+Na-2H]- 269.97237 151.7
[M]+ 248.99715 151.5
[M]- 248.99825 151.5
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