CID 3087802

Dl-tyrosine, o-methyl-3-nitro-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C=C1)OC)[N+](=O)[O-])N
InChI
InChI=1S/C12H16N2O5/c1-3-19-12(15)9(13)6-8-4-5-11(18-2)10(7-8)14(16)17/h4-5,7,9H,3,6,13H2,1-2H3/t9-/m0/s1
InChIKey
LLLMJNDNUDXEHM-VIFPVBQESA-N
Compound name
ethyl (2S)-2-amino-3-(4-methoxy-3-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 158.8
[M+Na]+ 291.095148 164.1
[M-H]- 267.098654 161.9
[M+NH4]+ 286.139753 173.8
[M+K]+ 307.069088 159.4
[M+H-H2O]+ 251.103190 156.4
[M+HCOO]- 313.104131 182.7
[M+CH3COO]- 327.119781 194.1
[M+Na-2H]- 289.080596 162.1
[M]+ 268.10538142 159.7
[M]- 268.10647858 159.7
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.