CID 135580648

Benzaldehyde, 3,4-dihydroxy-5-methoxy-, oxime

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=CC(=CC(=C1O)O)/C=N\O
InChI
InChI=1S/C8H9NO4/c1-13-7-3-5(4-9-12)2-6(10)8(7)11/h2-4,10-12H,1H3/b9-4-
InChIKey
WCHGNHSEDPOLIQ-WTKPLQERSA-N
Compound name
5-[(Z)-hydroxyiminomethyl]-3-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 134.4
[M+Na]+ 206.042378 143.4
[M-H]- 182.045884 136.3
[M+NH4]+ 201.086983 153.2
[M+K]+ 222.016318 141.5
[M+H-H2O]+ 166.050420 129.0
[M+HCOO]- 228.051361 158.3
[M+CH3COO]- 242.067011 178.4
[M+Na-2H]- 204.027826 140.3
[M]+ 183.05261142 135.5
[M]- 183.05370858 135.5
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.