CID 57514183

Methyl 2-amino-2-(3-nitrophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC(C1=CC(=CC=C1)[N+](=O)[O-])(C(=O)OC)N
InChI
InChI=1S/C10H12N2O4/c1-10(11,9(13)16-2)7-4-3-5-8(6-7)12(14)15/h3-6H,11H2,1-2H3
InChIKey
NNURTFORWMBPDE-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

224.07971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 145.2
[M+Na]+ 247.06893 155.7
[M+NH4]+ 242.11353 151.6
[M+K]+ 263.04287 154.9
[M-H]- 223.07243 146.9
[M+Na-2H]- 245.05438 150.1
[M]+ 224.07916 146.8
[M]- 224.08026 146.8
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

patents stripe