CID 9562664

2-pyridinecarboxaldehyde, o-(cyclohexylcarbamoyl)oxime

Structural Information

Molecular Formula
C13H17N3O2
SMILES
C1CCC(CC1)NC(=O)O/N=C/C2=CC=CC=N2
InChI
InChI=1S/C13H17N3O2/c17-13(16-11-6-2-1-3-7-11)18-15-10-12-8-4-5-9-14-12/h4-5,8-11H,1-3,6-7H2,(H,16,17)/b15-10+
InChIKey
KXQHUPMHJCYLMC-XNTDXEJSSA-N
Compound name
[(E)-pyridin-2-ylmethylideneamino] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 155.3
[M+Na]+ 270.121298 158.3
[M-H]- 246.124804 160.6
[M+NH4]+ 265.165903 170.4
[M+K]+ 286.095238 156.3
[M+H-H2O]+ 230.129340 146.0
[M+HCOO]- 292.130281 177.9
[M+CH3COO]- 306.145931 196.4
[M+Na-2H]- 268.106746 161.2
[M]+ 247.13153142 151.3
[M]- 247.13262858 151.3
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.