CID 135573432

Vanillic dialdehyde dioxime

Structural Information

Molecular Formula
C9H10N2O4
SMILES
COC1=CC(=CC(=C1O)/C=N/O)/C=N/O
InChI
InChI=1S/C9H10N2O4/c1-15-8-3-6(4-10-13)2-7(5-11-14)9(8)12/h2-5,12-14H,1H3/b10-4+,11-5+
InChIKey
FZBDFWKLMTWREJ-ZVSIBQGLSA-N
Compound name
2,4-bis[(E)-hydroxyiminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

210.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 141.1
[M+Na]+ 233.053278 149.5
[M-H]- 209.056784 144.3
[M+NH4]+ 228.097883 159.2
[M+K]+ 249.027218 147.7
[M+H-H2O]+ 193.061320 134.8
[M+HCOO]- 255.062261 167.5
[M+CH3COO]- 269.077911 187.7
[M+Na-2H]- 231.038726 147.4
[M]+ 210.06351142 142.9
[M]- 210.06460858 142.9
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