CID 2461540

3-methoxy-4-propoxy-benzaldehyde oxime

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CCCOC1=C(C=C(C=C1)C=NO)OC

InChI

InChI=1S/C11H15NO3/c1-3-6-15-10-5-4-9(8-12-13)7-11(10)14-2/h4-5,7-8,13H,3,6H2,1-2H3

InChIKey

DBOQZEDKACZVMY-UHFFFAOYSA-N

Compound name

N-[(3-methoxy-4-propoxyphenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.1052 Da
Monoisotopic Mass: 2.5
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]+	210.112476	144.6
[M+Na]+	232.094418	152.3
[M-H]-	208.097924	148.5
[M+NH4]+	227.139023	163.6
[M+K]+	248.068358	150.9
[M+H-H2O]+	192.102460	138.1
[M+HCOO]-	254.103401	170.4
[M+CH3COO]-	268.119051	189.1
[M+Na-2H]-	230.079866	150.7
[M]+	209.10465142	148.8
[M]-	209.10574858	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.