CID 54324815

3-nitro-n-phenyl-propanamide

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C(C=C1)NC(=O)CC[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c12-9(6-7-11(13)14)10-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey
SUEAVWOQLFGEFT-UHFFFAOYSA-N
Compound name
3-nitro-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

194.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.3
[M+Na]+ 217.058358 144.6
[M-H]- 193.061864 142.7
[M+NH4]+ 212.102963 157.2
[M+K]+ 233.032298 139.3
[M+H-H2O]+ 177.066400 137.4
[M+HCOO]- 239.067341 165.5
[M+CH3COO]- 253.082991 178.5
[M+Na-2H]- 215.043806 147.4
[M]+ 194.06859142 137.3
[M]- 194.06968858 137.3
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