CID 9588200

3-pyridinecarboxaldehyde, o-methyloxime, 1-oxide

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CC(=CN=C1)/C=N/OC=O
InChI
InChI=1S/C7H6N2O2/c10-6-11-9-5-7-2-1-3-8-4-7/h1-6H/b9-5+
InChIKey
HEVGJHJMZOBCIB-WEVVVXLNSA-N
Compound name
[(E)-pyridin-3-ylmethylideneamino] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 126.2
[M+Na]+ 173.032138 134.7
[M-H]- 149.035644 130.0
[M+NH4]+ 168.076743 146.4
[M+K]+ 189.006078 133.8
[M+H-H2O]+ 133.040180 119.2
[M+HCOO]- 195.041121 153.6
[M+CH3COO]- 209.056771 177.0
[M+Na-2H]- 171.017586 136.5
[M]+ 150.04237142 128.5
[M]- 150.04346858 128.5
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.