CID 4426323

N-cyclopentyl-4-nitroaniline

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CCC(C1)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-7-5-10(6-8-11)12-9-3-1-2-4-9/h5-9,12H,1-4H2
InChIKey
CBVVMRGBJNMFOX-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

206.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.6
[M+Na]+ 229.09475 155.9
[M+NH4]+ 224.13935 153.6
[M+K]+ 245.06869 153.6
[M-H]- 205.09825 150.2
[M+Na-2H]- 227.08020 151.6
[M]+ 206.10498 147.5
[M]- 206.10608 147.5
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