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 145.7
[M+Na]+ 247.06893 151.8
[M-H]- 223.07243 149.2
[M+NH4]+ 242.11353 162.5
[M+K]+ 263.04287 146.9
[M+H-H2O]+ 207.07697 144.4
[M+HCOO]- 269.07791 169.6
[M+CH3COO]- 283.09356 184.1
[M+Na-2H]- 245.05438 153.1
[M]+ 224.07916 144.3
[M]- 224.08026 144.3
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