CID 216201

Glycine, n-(3-hydroxy-l-tyrosyl)-

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)NCC(=O)O)N)O)O
InChI
InChI=1S/C11H14N2O5/c12-7(11(18)13-5-10(16)17)3-6-1-2-8(14)9(15)4-6/h1-2,4,7,14-15H,3,5,12H2,(H,13,18)(H,16,17)/t7-/m0/s1
InChIKey
URBGGMJZVAVPOH-ZETCQYMHSA-N
Compound name
2-[[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.09027 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 155.3
[M+Na]+ 277.07949 160.0
[M-H]- 253.08299 154.5
[M+NH4]+ 272.12409 169.0
[M+K]+ 293.05343 158.1
[M+H-H2O]+ 237.08753 148.8
[M+HCOO]- 299.08847 174.4
[M+CH3COO]- 313.10412 193.4
[M+Na-2H]- 275.06494 155.4
[M]+ 254.08972 152.3
[M]- 254.09082 152.3
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

patents stripe