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]+ 235.180496 156.7
[M+Na]+ 257.162438 161.9
[M-H]- 233.165944 159.1
[M+NH4]+ 252.207043 173.6
[M+K]+ 273.136378 159.4
[M+H-H2O]+ 217.170480 148.3
[M+HCOO]- 279.171421 181.3
[M+CH3COO]- 293.187071 197.1
[M+Na-2H]- 255.147886 163.1
[M]+ 234.17267142 160.8
[M]- 234.17376858 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.