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

2
Patents

217.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.9
[M+Na]+ 240.110718 151.3
[M-H]- 216.114224 153.3
[M+NH4]+ 235.155323 164.2
[M+K]+ 256.084658 149.0
[M+H-H2O]+ 200.118760 138.9
[M+HCOO]- 262.119701 170.5
[M+CH3COO]- 276.135351 191.9
[M+Na-2H]- 238.096166 154.2
[M]+ 217.12095142 142.1
[M]- 217.12204858 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

patents stripe