CID 165706956

2-[2-hydroxy-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Structural Information

Molecular Formula
C10H19NO4S2
SMILES
CSCCC(C(=O)O)NC(=O)C(CCSC)O
InChI
InChI=1S/C10H19NO4S2/c1-16-5-3-7(10(14)15)11-9(13)8(12)4-6-17-2/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKey
MLQVEUGXFOLYPW-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07556 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08284 163.1
[M+Na]+ 304.06478 165.0
[M-H]- 280.06828 158.8
[M+NH4]+ 299.10938 176.9
[M+K]+ 320.03872 161.4
[M+H-H2O]+ 264.07282 156.5
[M+HCOO]- 326.07376 168.8
[M+CH3COO]- 340.08941 196.4
[M+Na-2H]- 302.05023 158.4
[M]+ 281.07501 165.3
[M]- 281.07611 165.3
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.