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]+ 248.13936 155.3
[M+Na]+ 270.12130 158.3
[M-H]- 246.12480 160.6
[M+NH4]+ 265.16590 170.4
[M+K]+ 286.09524 156.3
[M+H-H2O]+ 230.12934 146.0
[M+HCOO]- 292.13028 177.9
[M+CH3COO]- 306.14593 196.4
[M+Na-2H]- 268.10675 161.2
[M]+ 247.13153 151.3
[M]- 247.13263 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.