CID 3101179

N-cyclohexyl-2-nitroaniline

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CCC(CC1)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKey
NENZSHGMDIEWOH-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

71
Patents

220.12119 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 147.4
[M+Na]+ 243.11041 150.3
[M-H]- 219.11391 153.0
[M+NH4]+ 238.15501 163.9
[M+K]+ 259.08435 143.8
[M+H-H2O]+ 203.11845 144.4
[M+HCOO]- 265.11939 170.2
[M+CH3COO]- 279.13504 184.4
[M+Na-2H]- 241.09586 154.0
[M]+ 220.12064 140.1
[M]- 220.12174 140.1
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