CID 60179

M-anisidine, 4-(octyloxy)-

Structural Information

Molecular Formula

C₁₅H₂₅NO₂

SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)OC

InChI

InChI=1S/C15H25NO2/c1-3-4-5-6-7-8-11-18-14-10-9-13(16)12-15(14)17-2/h9-10,12H,3-8,11,16H2,1-2H3

InChIKey

JKRIFKGKSXBJND-UHFFFAOYSA-N

Compound name

3-methoxy-4-octoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 251.18852 Da
Monoisotopic Mass: 4.6
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]+	252.19580	161.3
[M+Na]+	274.17774	172.3
[M+NH4]+	269.22234	168.8
[M+K]+	290.15168	164.9
[M-H]-	250.18124	163.7
[M+Na-2H]-	272.16319	166.4
[M]+	251.18797	163.4
[M]-	251.18907	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe