CID 118726

Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt

Structural Information

Molecular Formula
C4H12N2O3S
SMILES
C(CNCCS(=O)(=O)O)N
InChI
InChI=1S/C4H12N2O3S/c5-1-2-6-3-4-10(7,8)9/h6H,1-5H2,(H,7,8,9)
InChIKey
IVGRSQBDVIJNDA-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4652
Patents

168.05687 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06415 132.4
[M+Na]+ 191.04609 138.7
[M-H]- 167.04959 130.8
[M+NH4]+ 186.09069 151.5
[M+K]+ 207.02003 136.5
[M+H-H2O]+ 151.05413 127.0
[M+HCOO]- 213.05507 150.4
[M+CH3COO]- 227.07072 176.2
[M+Na-2H]- 189.03154 136.8
[M]+ 168.05632 132.5
[M]- 168.05742 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe