CID 344570

1-aminoethanesulfonic acid

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

3514
Patents

125.01466 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.02194 120.8
[M+Na]+ 148.00388 128.6
[M-H]- 124.00738 119.8
[M+NH4]+ 143.04848 142.0
[M+K]+ 163.97782 127.7
[M+H-H2O]+ 108.01192 116.6
[M+HCOO]- 170.01286 137.5
[M+CH3COO]- 184.02851 165.9
[M+Na-2H]- 145.98933 124.5
[M]+ 125.01411 120.4
[M]- 125.01521 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.