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

56
Patents

210.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.1
[M+Na]+ 233.05328 149.5
[M-H]- 209.05678 144.3
[M+NH4]+ 228.09788 159.2
[M+K]+ 249.02722 147.7
[M+H-H2O]+ 193.06132 134.8
[M+HCOO]- 255.06226 167.5
[M+CH3COO]- 269.07791 187.7
[M+Na-2H]- 231.03873 147.4
[M]+ 210.06351 142.9
[M]- 210.06461 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