CID 91972244

N-acetyl-l-methionine sulfoximine(1-)

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]+ 223.07471 147.1
[M+Na]+ 245.05665 151.7
[M-H]- 221.06015 145.7
[M+NH4]+ 240.10125 163.9
[M+K]+ 261.03059 150.2
[M+H-H2O]+ 205.06469 141.4
[M+HCOO]- 267.06563 162.3
[M+CH3COO]- 281.08128 188.2
[M+Na-2H]- 243.04210 148.0
[M]+ 222.06688 147.4
[M]- 222.06798 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.