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
4
Annotation Hits

21
References

4309
Patents

110.999016 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.00629 116.2
[M+Na]+ 133.98823 124.8
[M-H]- 109.99174 115.4
[M+NH4]+ 129.03284 138.1
[M+K]+ 149.96217 123.5
[M+H-H2O]+ 93.996276 112.1
[M+HCOO]- 155.99722 134.3
[M+CH3COO]- 170.01287 162.0
[M+Na-2H]- 131.97368 121.5
[M]+ 110.99847 116.2
[M]- 110.99956 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