CID 456667

Niazid cyclohex

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CCC(=NNC(=O)C2=CN=CC=C2)CC1
InChI
InChI=1S/C12H15N3O/c16-12(10-5-4-8-13-9-10)15-14-11-6-2-1-3-7-11/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKey
HEEMIXKRKQUFEV-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.9
[M+Na]+ 240.11072 151.3
[M-H]- 216.11422 153.3
[M+NH4]+ 235.15532 164.2
[M+K]+ 256.08466 149.0
[M+H-H2O]+ 200.11876 138.9
[M+HCOO]- 262.11970 170.5
[M+CH3COO]- 276.13535 191.9
[M+Na-2H]- 238.09617 154.2
[M]+ 217.12095 142.1
[M]- 217.12205 142.1
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

No patent data available for this compound.