CID 167716246

(2s)-2-amino-3-(ethanesulfonyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H13NO3S
SMILES
CCS(=O)(=O)C[C@H](CO)N
InChI
InChI=1S/C5H13NO3S/c1-2-10(8,9)4-5(6)3-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
InChIKey
BKAYJORYJIOOAU-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-ethylsulfonylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06161 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06889 134.1
[M+Na]+ 190.05083 140.7
[M-H]- 166.05433 132.6
[M+NH4]+ 185.09543 153.7
[M+K]+ 206.02477 139.0
[M+H-H2O]+ 150.05887 129.3
[M+HCOO]- 212.05981 149.9
[M+CH3COO]- 226.07546 175.0
[M+Na-2H]- 188.03628 136.4
[M]+ 167.06106 134.9
[M]- 167.06216 134.9
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

No patent data available for this compound.