CID 710789

N-cyclopentyl-4-nitrobenzamide

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1CCC(C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H14N2O3/c15-12(13-10-3-1-2-4-10)9-5-7-11(8-6-9)14(16)17/h5-8,10H,1-4H2,(H,13,15)
InChIKey
VXQCTWJVIDLLNJ-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.10045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.4
[M+Na]+ 257.089668 155.1
[M-H]- 233.093174 157.5
[M+NH4]+ 252.134273 169.0
[M+K]+ 273.063608 148.9
[M+H-H2O]+ 217.097710 148.8
[M+HCOO]- 279.098651 175.7
[M+CH3COO]- 293.114301 185.0
[M+Na-2H]- 255.075116 155.8
[M]+ 234.09990142 146.0
[M]- 234.10099858 146.0
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