CID 344577

1-amino-1-butanesulfonic acid

Structural Information

Molecular Formula
C4H11NO3S
SMILES
CCCC(N)S(=O)(=O)O
InChI
InChI=1S/C4H11NO3S/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)
InChIKey
XSHPANSJCYJKLE-UHFFFAOYSA-N
Compound name
1-aminobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

153.04596 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05324 129.7
[M+Na]+ 176.03518 136.7
[M-H]- 152.03868 128.4
[M+NH4]+ 171.07978 149.8
[M+K]+ 192.00912 135.2
[M+H-H2O]+ 136.04322 125.1
[M+HCOO]- 198.04416 145.8
[M+CH3COO]- 212.05981 171.9
[M+Na-2H]- 174.02063 132.5
[M]+ 153.04541 130.1
[M]- 153.04651 130.1
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