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

1
Patents

268.10593 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 160.2
[M+Na]+ 291.095148 164.2
[M-H]- 267.098654 159.3
[M+NH4]+ 286.139753 173.2
[M+K]+ 307.069088 162.7
[M+H-H2O]+ 251.103190 153.6
[M+HCOO]- 313.104131 178.0
[M+CH3COO]- 327.119781 197.4
[M+Na-2H]- 289.080596 158.5
[M]+ 268.10538142 156.9
[M]- 268.10647858 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