CID 120025

Ethanesulfonic acid, 2,2'-(methylimino)bis-, disodium salt

Structural Information

Molecular Formula
C5H13NO6S2
SMILES
CN(CCS(=O)(=O)O)CCS(=O)(=O)O
InChI
InChI=1S/C5H13NO6S2/c1-6(2-4-13(7,8)9)3-5-14(10,11)12/h2-5H2,1H3,(H,7,8,9)(H,10,11,12)
InChIKey
BNBIEEPBSDLSQI-UHFFFAOYSA-N
Compound name
2-[methyl(2-sulfoethyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

247.01843 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02571 149.6
[M+Na]+ 270.00765 155.4
[M-H]- 246.01115 147.7
[M+NH4]+ 265.05225 165.4
[M+K]+ 285.98159 152.7
[M+H-H2O]+ 230.01569 144.0
[M+HCOO]- 292.01663 159.5
[M+CH3COO]- 306.03228 185.7
[M+Na-2H]- 267.99310 152.9
[M]+ 247.01788 154.0
[M]- 247.01898 154.0
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