CID 6861469

3,4-dimethoxybenzaldehyde oxime

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC1=C(C=C(C=C1)/C=N/O)OC

InChI

InChI=1S/C9H11NO3/c1-12-8-4-3-7(6-10-11)5-9(8)13-2/h3-6,11H,1-2H3/b10-6+

InChIKey

LHZIVRAMZJJLAP-UXBLZVDNSA-N

Compound name

(NE)-N-[(3,4-dimethoxyphenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 42
Patents: 181.0739 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.08118	135.2
[M+Na]+	204.06312	143.9
[M-H]-	180.06662	139.5
[M+NH4]+	199.10772	155.4
[M+K]+	220.03706	143.0
[M+H-H2O]+	164.07116	129.2
[M+HCOO]-	226.07210	161.8
[M+CH3COO]-	240.08775	183.0
[M+Na-2H]-	202.04857	142.4
[M]+	181.07335	138.7
[M]-	181.07445	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe