CID 104294

Methionylmethionine

Structural Information

Molecular Formula
C10H20N2O3S2
SMILES
CSCCC(C(=O)NC(CCSC)C(=O)O)N
InChI
InChI=1S/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
ZYTPOUNUXRBYGW-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

308
Patents

280.09152 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.098796 163.5
[M+Na]+ 303.080738 165.1
[M-H]- 279.084244 160.0
[M+NH4]+ 298.125343 177.5
[M+K]+ 319.054678 161.5
[M+H-H2O]+ 263.088780 156.3
[M+HCOO]- 325.089721 170.7
[M+CH3COO]- 339.105371 201.2
[M+Na-2H]- 301.066186 158.7
[M]+ 280.09097142 164.3
[M]- 280.09206858 164.3
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

patents stripe