CID 18218230

Methionyl-threonine

Structural Information

Molecular Formula
C9H18N2O4S
SMILES
CC(C(C(=O)O)NC(=O)C(CCSC)N)O
InChI
InChI=1S/C9H18N2O4S/c1-5(12)7(9(14)15)11-8(13)6(10)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
InChIKey
KAKJTZWHIUWTTD-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

250.09872 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10600 157.7
[M+Na]+ 273.08794 160.2
[M+NH4]+ 268.13254 161.2
[M+K]+ 289.06188 158.4
[M-H]- 249.09144 153.6
[M+Na-2H]- 271.07339 155.2
[M]+ 250.09817 156.4
[M]- 250.09927 156.4
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

patents stripe