CID 344570

Sodium 1-aminoethanesulphonate

Structural Information

Molecular Formula
C2H7NO3S
SMILES
CC(N)S(=O)(=O)O
InChI
InChI=1S/C2H7NO3S/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H,4,5,6)
InChIKey
SDHMGKANHNMOSS-UHFFFAOYSA-N
Compound name
1-aminoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3654
Patents

125.01466 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.021936 120.8
[M+Na]+ 148.003878 128.6
[M-H]- 124.007384 119.8
[M+NH4]+ 143.048483 142.0
[M+K]+ 163.977818 127.7
[M+H-H2O]+ 108.011920 116.6
[M+HCOO]- 170.012861 137.5
[M+CH3COO]- 184.028511 165.9
[M+Na-2H]- 145.989326 124.5
[M]+ 125.01411142 120.4
[M]- 125.01520858 120.4
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