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
3
Annotation Hits

0
References

13
Patents

247.01843 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.025706 149.6
[M+Na]+ 270.007648 155.4
[M-H]- 246.011154 147.7
[M+NH4]+ 265.052253 165.4
[M+K]+ 285.981588 152.7
[M+H-H2O]+ 230.015690 144.0
[M+HCOO]- 292.016631 159.5
[M+CH3COO]- 306.032281 185.7
[M+Na-2H]- 267.993096 152.9
[M]+ 247.01788142 154.0
[M]- 247.01897858 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