CID 18218253

Tyrosylserine

Structural Information

Molecular Formula
C12H16N2O5
SMILES
C1=CC(=CC=C1CC(C(=O)NC(CO)C(=O)O)N)O
InChI
InChI=1S/C12H16N2O5/c13-9(5-7-1-3-8(16)4-2-7)11(17)14-10(6-15)12(18)19/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)
InChIKey
ZSXJENBJGRHKIG-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

268.10593 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 160.7
[M+Na]+ 291.09515 166.0
[M+NH4]+ 286.13975 164.0
[M+K]+ 307.06909 165.3
[M-H]- 267.09865 158.6
[M+Na-2H]- 289.08060 161.3
[M]+ 268.10538 160.0
[M]- 268.10648 160.0
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