CID 81980

N-(3-nitrophenyl)propionamide

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKey
KJYLJFHUBHZCKT-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

194.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 138.9
[M+Na]+ 217.058358 145.1
[M-H]- 193.061864 142.7
[M+NH4]+ 212.102963 157.1
[M+K]+ 233.032298 139.8
[M+H-H2O]+ 177.066400 137.2
[M+HCOO]- 239.067341 165.1
[M+CH3COO]- 253.082991 179.5
[M+Na-2H]- 215.043806 146.3
[M]+ 194.06859142 137.2
[M]- 194.06968858 137.2
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