CID 216198

L-tyrosine, n-l-alanyl-3-hydroxy-

Structural Information

Molecular Formula
C12H16N2O5
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O)N
InChI
InChI=1S/C12H16N2O5/c1-6(13)11(17)14-8(12(18)19)4-7-2-3-9(15)10(16)5-7/h2-3,5-6,8,15-16H,4,13H2,1H3,(H,14,17)(H,18,19)/t6-,8-/m0/s1
InChIKey
ITJWIBNTLYIIJY-XPUUQOCRSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3,4-dihydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.10593 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 160.2
[M+Na]+ 291.09515 164.2
[M-H]- 267.09865 159.3
[M+NH4]+ 286.13975 173.2
[M+K]+ 307.06909 162.7
[M+H-H2O]+ 251.10319 153.6
[M+HCOO]- 313.10413 178.0
[M+CH3COO]- 327.11978 197.4
[M+Na-2H]- 289.08060 158.5
[M]+ 268.10538 156.9
[M]- 268.10648 156.9
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