CID 135770221

1,2-propanedione, 1-(4-imino-1,4-dihydro-1-pyridyl)-, dioxime

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C/C(=N\O)/C(=N\O)/N1C=CC(=N)C=C1
InChI
InChI=1S/C8H10N4O2/c1-6(10-13)8(11-14)12-4-2-7(9)3-5-12/h2-5,9,13-14H,1H3/b10-6+,11-8+
InChIKey
XLZQPOVUUITHNG-NSJFVGFPSA-N
Compound name
(NE)-N-[(1E)-1-hydroxyimino-1-(4-imino-1-pyridinyl)propan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 140.0
[M+Na]+ 217.069588 146.6
[M-H]- 193.073094 142.8
[M+NH4]+ 212.114193 157.1
[M+K]+ 233.043528 145.0
[M+H-H2O]+ 177.077630 132.5
[M+HCOO]- 239.078571 165.7
[M+CH3COO]- 253.094221 188.5
[M+Na-2H]- 215.055036 146.5
[M]+ 194.07982142 137.4
[M]- 194.08091858 137.4
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.