CID 59888

M-anisidine, 4-(pentyloxy)-

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCCCCOC1=C(C=C(C=C1)N)OC

InChI

InChI=1S/C12H19NO2/c1-3-4-5-8-15-11-7-6-10(13)9-12(11)14-2/h6-7,9H,3-5,8,13H2,1-2H3

InChIKey

DYPDAOIFTBTTMX-UHFFFAOYSA-N

Compound name

3-methoxy-4-pentoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 209.14159 Da
Monoisotopic Mass: 2.8
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]+	210.14887	147.8
[M+Na]+	232.13081	159.4
[M+NH4]+	227.17541	155.7
[M+K]+	248.10475	152.6
[M-H]-	208.13431	150.2
[M+Na-2H]-	230.11626	153.6
[M]+	209.14104	150.0
[M]-	209.14214	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe