CID 541605

Propanamide, 2-amino-n-(4-nitrophenyl)-, monohydrochloride, (2s)-

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H11N3O3/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15/h2-6H,10H2,1H3,(H,11,13)
InChIKey
PXFUDSMGEYRNNC-UHFFFAOYSA-N
Compound name
2-amino-N-(4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

346
Patents

209.08005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 141.9
[M+Na]+ 232.069268 146.9
[M-H]- 208.072774 145.1
[M+NH4]+ 227.113873 158.7
[M+K]+ 248.043208 141.8
[M+H-H2O]+ 192.077310 139.8
[M+HCOO]- 254.078251 167.4
[M+CH3COO]- 268.093901 184.5
[M+Na-2H]- 230.054716 147.5
[M]+ 209.07950142 137.8
[M]- 209.08059858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe