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]+ 124.00629 119.9
[M+Na]+ 145.98823 128.4
[M-H]- 121.99174 118.9
[M+NH4]+ 141.03284 141.3
[M+K]+ 161.96217 126.3
[M+H-H2O]+ 105.99628 115.7
[M+HCOO]- 167.99722 137.9
[M+CH3COO]- 182.01287 163.4
[M+Na-2H]- 143.97368 124.7
[M]+ 122.99847 119.4
[M]- 122.99956 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.