CID 17900030

Methionyl-aspartate

Structural Information

Molecular Formula
C9H16N2O5S
SMILES
CSCCC(C(=O)NC(CC(=O)O)C(=O)O)N
InChI
InChI=1S/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKey
QTZXSYBVOSXBEJ-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

264.078 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08528 159.7
[M+Na]+ 287.06722 161.7
[M+NH4]+ 282.11182 162.3
[M+K]+ 303.04116 160.4
[M-H]- 263.07072 154.8
[M+Na-2H]- 285.05267 156.7
[M]+ 264.07745 158.0
[M]- 264.07855 158.0
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