CID 135409333

1-(4-(decyloxy)-2-hydroxyphenyl)ethanone oxime

Structural Information

Molecular Formula

C₁₈H₂₉NO₃

SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)/C(=N/O)/C)O

InChI

InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-13-22-16-11-12-17(15(2)19-21)18(20)14-16/h11-12,14,20-21H,3-10,13H2,1-2H3/b19-15+

InChIKey

OHIORSVUWCEHNT-XDJHFCHBSA-N

Compound name

5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.21475 Da
Monoisotopic Mass: 6.0
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]+	308.222026	177.7
[M+Na]+	330.203968	181.7
[M-H]-	306.207474	178.9
[M+NH4]+	325.248573	191.9
[M+K]+	346.177908	178.2
[M+H-H2O]+	290.212010	170.1
[M+HCOO]-	352.212951	198.6
[M+CH3COO]-	366.228601	208.5
[M+Na-2H]-	328.189416	178.2
[M]+	307.21420142	181.9
[M]-	307.21529858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe