CID 3040502

L-tyrosine, 3-hydroxy-n-l-seryl-, hydrate (2:1)

Structural Information

Molecular Formula
C12H16N2O6
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)[C@H](CO)N)O)O
InChI
InChI=1S/C12H16N2O6/c13-7(5-15)11(18)14-8(12(19)20)3-6-1-2-9(16)10(17)4-6/h1-2,4,7-8,15-17H,3,5,13H2,(H,14,18)(H,19,20)/t7-,8-/m0/s1
InChIKey
DOISPRXABFCDLV-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(3,4-dihydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10083 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10811 163.4
[M+Na]+ 307.09005 168.1
[M+NH4]+ 302.13465 165.8
[M+K]+ 323.06399 168.5
[M-H]- 283.09355 160.4
[M+Na-2H]- 305.07550 162.8
[M]+ 284.10028 162.3
[M]- 284.10138 162.3
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

No patent data available for this compound.