CID 64146956

2580186-42-9

Structural Information

Molecular Formula
C10H11ClN2O4
SMILES
COC(=O)C(CC1=C(C=C(C=C1)Cl)[N+](=O)[O-])N
InChI
InChI=1S/C10H11ClN2O4/c1-17-10(14)8(12)4-6-2-3-7(11)5-9(6)13(15)16/h2-3,5,8H,4,12H2,1H3
InChIKey
LCJQUKSBKMHWQA-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(4-chloro-2-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04074 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04802 151.6
[M+Na]+ 281.02996 163.3
[M+NH4]+ 276.07456 158.3
[M+K]+ 297.00390 161.2
[M-H]- 257.03346 153.8
[M+Na-2H]- 279.01541 156.0
[M]+ 258.04019 153.8
[M]- 258.04129 153.8
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.