CID 9588203

3-pyridinecarboxaldehyde, o-ethyloxime, 1-oxide

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC(=O)O/N=C/C1=CN=CC=C1
InChI
InChI=1S/C8H8N2O2/c1-7(11)12-10-6-8-3-2-4-9-5-8/h2-6H,1H3/b10-6+
InChIKey
AXFIWMQXUWEQNR-UXBLZVDNSA-N
Compound name
[(E)-pyridin-3-ylmethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 131.7
[M+Na]+ 187.047798 139.5
[M-H]- 163.051304 135.5
[M+NH4]+ 182.092403 151.3
[M+K]+ 203.021738 138.9
[M+H-H2O]+ 147.055840 124.6
[M+HCOO]- 209.056781 157.8
[M+CH3COO]- 223.072431 180.1
[M+Na-2H]- 185.033246 140.2
[M]+ 164.05803142 133.6
[M]- 164.05912858 133.6
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.