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 160.2
[M+Na]+ 291.09515 163.2
[M-H]- 267.09865 158.9
[M+NH4]+ 286.13975 172.9
[M+K]+ 307.06909 161.7
[M+H-H2O]+ 251.10319 153.3
[M+HCOO]- 313.10413 178.0
[M+CH3COO]- 327.11978 196.1
[M+Na-2H]- 289.08060 159.2
[M]+ 268.10538 156.5
[M]- 268.10648 156.5
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