CID 9588230

3-methyl-4-pyridinecarboxaldehyde o-ethyloxime monohydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
CCO/N=C/C1=C(C=NC=C1)C
InChI
InChI=1S/C9H12N2O/c1-3-12-11-7-9-4-5-10-6-8(9)2/h4-7H,3H2,1-2H3/b11-7+
InChIKey
LDZZHCHKXKBPAO-YRNVUSSQSA-N
Compound name
(E)-N-ethoxy-1-(3-methylpyridin-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 133.6
[M+Na]+ 187.08418 141.9
[M-H]- 163.08768 137.4
[M+NH4]+ 182.12878 153.7
[M+K]+ 203.05812 140.7
[M+H-H2O]+ 147.09222 126.6
[M+HCOO]- 209.09316 159.9
[M+CH3COO]- 223.10881 183.0
[M+Na-2H]- 185.06963 142.1
[M]+ 164.09441 136.2
[M]- 164.09551 136.2
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.