CID 11283261

(2r)-2-amino-3-methanesulfonylpropanoic acid

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CS(=O)(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9NO4S/c1-10(8,9)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
AINYOQVNQVOYSR-VKHMYHEASA-N
Compound name
(2R)-2-amino-3-methylsulfonylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

167.02522 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032496 131.4
[M+Na]+ 190.014438 138.2
[M-H]- 166.017944 130.1
[M+NH4]+ 185.059043 150.6
[M+K]+ 205.988378 137.1
[M+H-H2O]+ 150.022480 126.7
[M+HCOO]- 212.023421 146.9
[M+CH3COO]- 226.039071 174.1
[M+Na-2H]- 187.999886 133.3
[M]+ 167.02467142 131.9
[M]- 167.02576858 131.9
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

patents stripe