CID 83791

Aminomethanesulfonic acid

Structural Information

Molecular Formula
CH5NO3S
SMILES
C(N)S(=O)(=O)O
InChI
InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)
InChIKey
OBESRABRARNZJB-UHFFFAOYSA-N
Compound name
aminomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

4404
Patents

110.999016 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.006292 116.2
[M+Na]+ 133.988234 124.8
[M-H]- 109.991740 115.4
[M+NH4]+ 129.032839 138.1
[M+K]+ 149.962174 123.5
[M+H-H2O]+ 93.996276 112.1
[M+HCOO]- 155.997217 134.3
[M+CH3COO]- 170.012867 162.0
[M+Na-2H]- 131.973682 121.5
[M]+ 110.99846742 116.2
[M]- 110.99956458 116.2
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