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]+ 165.06586 131.7
[M+Na]+ 187.04780 139.5
[M-H]- 163.05130 135.5
[M+NH4]+ 182.09240 151.3
[M+K]+ 203.02174 138.9
[M+H-H2O]+ 147.05584 124.6
[M+HCOO]- 209.05678 157.8
[M+CH3COO]- 223.07243 180.1
[M+Na-2H]- 185.03325 140.2
[M]+ 164.05803 133.6
[M]- 164.05913 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.