CID 117651

Einecs 247-302-0

Structural Information

Molecular Formula
C5H13NO5S
SMILES
C(CO)N(CCO)CS(=O)(=O)O
InChI
InChI=1S/C5H13NO5S/c7-3-1-6(2-4-8)5-12(9,10)11/h7-8H,1-5H2,(H,9,10,11)
InChIKey
JDRSLPWHTUIYIT-UHFFFAOYSA-N
Compound name
[bis(2-hydroxyethyl)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

199.05144 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05872 139.5
[M+Na]+ 222.04066 145.2
[M-H]- 198.04416 136.9
[M+NH4]+ 217.08526 157.1
[M+K]+ 238.01460 143.9
[M+H-H2O]+ 182.04870 134.4
[M+HCOO]- 244.04964 154.9
[M+CH3COO]- 258.06529 177.4
[M+Na-2H]- 220.02611 142.8
[M]+ 199.05089 142.3
[M]- 199.05199 142.3
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