CID 172407714

(z)-2-aminoethene-1-sulfonate

Structural Information

Molecular Formula
C2H5NO3S
SMILES
C(=C\S(=O)(=O)O)\N
InChI
InChI=1S/C2H5NO3S/c3-1-2-7(4,5)6/h1-2H,3H2,(H,4,5,6)/b2-1-
InChIKey
UQFVJYBZUXFXKK-UPHRSURJSA-N
Compound name
(Z)-2-aminoethenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.999016 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.006292 119.9
[M+Na]+ 145.988234 128.4
[M-H]- 121.991740 118.9
[M+NH4]+ 141.032839 141.3
[M+K]+ 161.962174 126.3
[M+H-H2O]+ 105.996276 115.7
[M+HCOO]- 167.997217 137.9
[M+CH3COO]- 182.012867 163.4
[M+Na-2H]- 143.973682 124.7
[M]+ 122.99846742 119.4
[M]- 122.99956458 119.4
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

No patent data available for this compound.