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

509
Patents

153.04596 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.053236 129.6
[M+Na]+ 176.035178 136.3
[M-H]- 152.038684 128.4
[M+NH4]+ 171.079783 149.7
[M+K]+ 192.009118 135.4
[M+H-H2O]+ 136.043220 125.1
[M+HCOO]- 198.044161 144.7
[M+CH3COO]- 212.059811 172.8
[M+Na-2H]- 174.020626 131.3
[M]+ 153.04541142 129.4
[M]- 153.04650858 129.4
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

patents stripe