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]+ 235.10773 151.4
[M+Na]+ 257.08967 155.1
[M-H]- 233.09317 157.5
[M+NH4]+ 252.13427 169.0
[M+K]+ 273.06361 148.9
[M+H-H2O]+ 217.09771 148.8
[M+HCOO]- 279.09865 175.7
[M+CH3COO]- 293.11430 185.0
[M+Na-2H]- 255.07512 155.8
[M]+ 234.09990 146.0
[M]- 234.10100 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