CID 19816752

Tyrosyl-aspartate

Structural Information

Molecular Formula
C13H16N2O6
SMILES
C1=CC(=CC=C1CC(C(=O)NC(CC(=O)O)C(=O)O)N)O
InChI
InChI=1S/C13H16N2O6/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)
InChIKey
QZOSVNLXLSNHQK-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10083 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10811 166.3
[M+Na]+ 319.09005 170.6
[M+NH4]+ 314.13465 168.4
[M+K]+ 335.06399 171.0
[M-H]- 295.09355 163.2
[M+Na-2H]- 317.07550 165.9
[M]+ 296.10028 165.0
[M]- 296.10138 165.0
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

No patent data available for this compound.