CID 14522584

Tyrosylthreonine

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N)O
InChI
InChI=1S/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)
InChIKey
MFEVVAXTBZELLL-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

282.12158 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 165.0
[M+Na]+ 305.11080 167.4
[M-H]- 281.11430 163.6
[M+NH4]+ 300.15540 177.1
[M+K]+ 321.08474 166.3
[M+H-H2O]+ 265.11884 158.1
[M+HCOO]- 327.11978 181.5
[M+CH3COO]- 341.13543 200.1
[M+Na-2H]- 303.09625 162.3
[M]+ 282.12103 161.0
[M]- 282.12213 161.0
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