CID 27215

M-anisidine, 4-(hexyloxy)-

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CCCCCCOC1=C(C=C(C=C1)N)OC

InChI

InChI=1S/C13H21NO2/c1-3-4-5-6-9-16-12-8-7-11(14)10-13(12)15-2/h7-8,10H,3-6,9,14H2,1-2H3

InChIKey

NOGYCEDADJZXDS-UHFFFAOYSA-N

Compound name

4-hexoxy-3-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.15723 Da
Monoisotopic Mass: 3.7
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]+	224.16451	152.3
[M+Na]+	246.14645	163.7
[M+NH4]+	241.19105	160.1
[M+K]+	262.12039	156.7
[M-H]-	222.14995	154.7
[M+Na-2H]-	244.13190	157.9
[M]+	223.15668	154.5
[M]-	223.15778	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe