CID 44150172

Ethyl 2-nitro-3-phenyl-l-alaninate

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CCOC(=O)[C@](CC1=CC=CC=C1)(N)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O4/c1-2-17-10(14)11(12,13(15)16)8-9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3/t11-/m1/s1
InChIKey
LVYBWCGMATWZRF-LLVKDONJSA-N
Compound name
ethyl (2R)-2-amino-2-nitro-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.0
[M+Na]+ 261.084568 155.8
[M-H]- 237.088074 153.9
[M+NH4]+ 256.129173 166.9
[M+K]+ 277.058508 150.6
[M+H-H2O]+ 221.092610 149.2
[M+HCOO]- 283.093551 174.6
[M+CH3COO]- 297.109201 186.0
[M+Na-2H]- 259.070016 158.5
[M]+ 238.09480142 149.6
[M]- 238.09589858 149.6
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.