CID 168007621

Chebi:194348

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CC(=O)N[C@@H](C[S@](=O)C)C(=O)O
InChI
InChI=1S/C6H11NO4S/c1-4(8)7-5(6(9)10)3-12(2)11/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-,12+/m0/s1
InChIKey
NOVBJFBGUYOLLL-IXIIUGLYSA-N
Compound name
(2R)-2-acetamido-3-[(R)-methylsulfinyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 141.6
[M+Na]+ 216.03010 147.3
[M+NH4]+ 211.07470 146.6
[M+K]+ 232.00404 144.2
[M-H]- 192.03360 138.2
[M+Na-2H]- 214.01555 141.2
[M]+ 193.04033 141.2
[M]- 193.04143 141.2
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.