CID 16657136

Cysteinyl-methionine

Structural Information

Molecular Formula
C8H16N2O3S2
SMILES
CSCCC(C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C8H16N2O3S2/c1-15-3-2-6(8(12)13)10-7(11)5(9)4-14/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13)
InChIKey
OOULJWDSSVOMHX-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.06024 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06752 155.3
[M+Na]+ 275.04946 157.8
[M-H]- 251.05296 152.2
[M+NH4]+ 270.09406 170.3
[M+K]+ 291.02340 154.5
[M+H-H2O]+ 235.05750 148.4
[M+HCOO]- 297.05844 163.1
[M+CH3COO]- 311.07409 195.4
[M+Na-2H]- 273.03491 151.2
[M]+ 252.05969 155.4
[M]- 252.06079 155.4
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