CID 40787457

1217849-53-0

Structural Information

Molecular Formula
C9H9N3O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C[C@H](C(=O)O)N
InChI
InChI=1S/C9H9N3O6/c10-7(9(13)14)3-5-1-2-6(11(15)16)4-8(5)12(17)18/h1-2,4,7H,3,10H2,(H,13,14)/t7-/m1/s1
InChIKey
LLVUHQYJZJUDAM-SSDOTTSWSA-N
Compound name
(2R)-2-amino-3-(2,4-dinitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04913 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05641 157.8
[M+Na]+ 278.03835 164.0
[M+NH4]+ 273.08295 166.6
[M+K]+ 294.01229 173.5
[M-H]- 254.04185 153.4
[M+Na-2H]- 276.02380 156.2
[M]+ 255.04858 159.6
[M]- 255.04968 159.6
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.