CID 315323

1-amino-2-methylpropane-1-sulfonic acid

Structural Information

Molecular Formula
C4H11NO3S
SMILES
CC(C)C(N)S(=O)(=O)O
InChI
InChI=1S/C4H11NO3S/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H,6,7,8)
InChIKey
INARFNQOWWSXLS-UHFFFAOYSA-N
Compound name
1-amino-2-methylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

153.04596 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05324 131.5
[M+Na]+ 176.03518 138.1
[M+NH4]+ 171.07978 137.6
[M+K]+ 192.00912 134.8
[M-H]- 152.03868 128.6
[M+Na-2H]- 174.02063 132.2
[M]+ 153.04541 131.6
[M]- 153.04651 131.6
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

patents stripe