CID 96323

2,6-pyridinedicarboxaldehyde 2,6-dioxime

Structural Information

Molecular Formula
C7H7N3O2
SMILES
C1=CC(=NC(=C1)C=NO)C=NO
InChI
InChI=1S/C7H7N3O2/c11-8-4-6-2-1-3-7(10-6)5-9-12/h1-5,11-12H
InChIKey
JBWQJYCKKIWNAM-UHFFFAOYSA-N
Compound name
N-[[6-(hydroxyiminomethyl)-2-pyridinyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

165.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 130.8
[M+Na]+ 188.043048 139.0
[M-H]- 164.046554 133.6
[M+NH4]+ 183.087653 149.6
[M+K]+ 204.016988 137.1
[M+H-H2O]+ 148.051090 123.8
[M+HCOO]- 210.052031 157.7
[M+CH3COO]- 224.067681 179.8
[M+Na-2H]- 186.028496 140.1
[M]+ 165.05328142 130.7
[M]- 165.05437858 130.7
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

patents stripe