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
1
Annotation Hits

0
References

31
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.