CID 171268

3-nitro-l-tyrosine ethyl ester hydrochloride

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])N
InChI
InChI=1S/C11H14N2O5/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17/h3-4,6,8,14H,2,5,12H2,1H3/t8-/m0/s1
InChIKey
VDFGKWYGLJURQQ-QMMMGPOBSA-N
Compound name
ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

309
Patents

254.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 153.8
[M+Na]+ 277.07949 163.5
[M+NH4]+ 272.12409 159.2
[M+K]+ 293.05343 162.9
[M-H]- 253.08299 155.0
[M+Na-2H]- 275.06494 156.8
[M]+ 254.08972 155.0
[M]- 254.09082 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe