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

33
Patents

224.07971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 145.7
[M+Na]+ 247.068928 151.8
[M-H]- 223.072434 149.2
[M+NH4]+ 242.113533 162.5
[M+K]+ 263.042868 146.9
[M+H-H2O]+ 207.076970 144.4
[M+HCOO]- 269.077911 169.6
[M+CH3COO]- 283.093561 184.1
[M+Na-2H]- 245.054376 153.1
[M]+ 224.07916142 144.3
[M]- 224.08025858 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