CID 314664

4-nitro-n-propylbenzamide

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c1-2-7-11-10(13)8-3-5-9(6-4-8)12(14)15/h3-6H,2,7H2,1H3,(H,11,13)
InChIKey
MDRVSZJDSUDYGP-UHFFFAOYSA-N
Compound name
4-nitro-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

208.0848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.7
[M+Na]+ 231.07402 149.6
[M-H]- 207.07752 147.4
[M+NH4]+ 226.11862 161.4
[M+K]+ 247.04796 144.0
[M+H-H2O]+ 191.08206 141.9
[M+HCOO]- 253.08300 169.6
[M+CH3COO]- 267.09865 182.6
[M+Na-2H]- 229.05947 150.6
[M]+ 208.08425 142.4
[M]- 208.08535 142.4
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.