CID 73243

Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-

Structural Information

Molecular Formula
C6H15NO5S
SMILES
C(CO)N(CCO)CCS(=O)(=O)O
InChI
InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)
InChIKey
AJTVSSFTXWNIRG-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

148
References

9244
Patents

213.0671 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.074376 143.9
[M+Na]+ 236.056318 149.1
[M-H]- 212.059824 141.1
[M+NH4]+ 231.100923 160.9
[M+K]+ 252.030258 147.7
[M+H-H2O]+ 196.064360 138.5
[M+HCOO]- 258.065301 159.0
[M+CH3COO]- 272.080951 180.4
[M+Na-2H]- 234.041766 146.8
[M]+ 213.06655142 147.0
[M]- 213.06764858 147.0
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