CID 261538

2-cyclohexylamino-5-nitropyridine

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CCC(CC1)NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O2/c15-14(16)10-6-7-11(12-8-10)13-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,13)
InChIKey
OGOQAAXBFKYJBE-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

221.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 146.5
[M+Na]+ 244.10564 149.8
[M-H]- 220.10914 150.9
[M+NH4]+ 239.15024 161.7
[M+K]+ 260.07958 143.4
[M+H-H2O]+ 204.11368 142.7
[M+HCOO]- 266.11462 168.4
[M+CH3COO]- 280.13027 184.0
[M+Na-2H]- 242.09109 154.2
[M]+ 221.11587 139.3
[M]- 221.11697 139.3
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