CID 9588256

4-pyridinecarboxaldehyde, o-octyloxime

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCCCCCCCO/N=C/C1=CC=NC=C1
InChI
InChI=1S/C14H22N2O/c1-2-3-4-5-6-7-12-17-16-13-14-8-10-15-11-9-14/h8-11,13H,2-7,12H2,1H3/b16-13+
InChIKey
WBTRXNRSDNIEPA-DTQAZKPQSA-N
Compound name
(E)-N-octoxy-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 156.7
[M+Na]+ 257.16244 161.9
[M-H]- 233.16594 159.1
[M+NH4]+ 252.20704 173.6
[M+K]+ 273.13638 159.4
[M+H-H2O]+ 217.17048 148.3
[M+HCOO]- 279.17142 181.3
[M+CH3COO]- 293.18707 197.1
[M+Na-2H]- 255.14789 163.1
[M]+ 234.17267 160.8
[M]- 234.17377 160.8
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.