CID 91972244

N-acetyl-l-methionine sulfoximine

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
CC(=O)N[C@@H](CCS(=N)(=O)C)C(=O)O
InChI
InChI=1S/C7H14N2O4S/c1-5(10)9-6(7(11)12)3-4-14(2,8)13/h6,8H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-,14?/m0/s1
InChIKey
NBUSDVOJMKDYAH-TZKMECQKSA-N
Compound name
(2S)-2-acetamido-4-(methylsulfonimidoyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06743 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.074706 147.1
[M+Na]+ 245.056648 151.7
[M-H]- 221.060154 145.7
[M+NH4]+ 240.101253 163.9
[M+K]+ 261.030588 150.2
[M+H-H2O]+ 205.064690 141.4
[M+HCOO]- 267.065631 162.3
[M+CH3COO]- 281.081281 188.2
[M+Na-2H]- 243.042096 148.0
[M]+ 222.06688142 147.4
[M]- 222.06797858 147.4
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

No patent data available for this compound.