CID 27221

M-anisidine, 4-((1-methylheptyl)oxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₅NO₂

SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)N)OC

InChI

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

InChIKey

PUYPFNHNXZSDGA-UHFFFAOYSA-N

Compound name

3-methoxy-4-octan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 251.18852 Da
Monoisotopic Mass: 4.5
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]+	252.195796	162.5
[M+Na]+	274.177738	168.0
[M-H]-	250.181244	165.2
[M+NH4]+	269.222343	179.6
[M+K]+	290.151678	165.8
[M+H-H2O]+	234.185780	155.5
[M+HCOO]-	296.186721	184.9
[M+CH3COO]-	310.202371	200.8
[M+Na-2H]-	272.163186	164.0
[M]+	251.18797142	165.9
[M]-	251.18906858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe