CID 70550871

4-(2-methoxypropoxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(COC1=CC=C(C=C1)N)OC

InChI

InChI=1S/C10H15NO2/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8H,7,11H2,1-2H3

InChIKey

PLZBPYUMDLSTJC-UHFFFAOYSA-N

Compound name

4-(2-methoxypropoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.11028 Da
Monoisotopic Mass: 1.5
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]+	182.117556	139.7
[M+Na]+	204.099498	146.4
[M-H]-	180.103004	142.9
[M+NH4]+	199.144103	159.3
[M+K]+	220.073438	145.4
[M+H-H2O]+	164.107540	133.5
[M+HCOO]-	226.108481	163.8
[M+CH3COO]-	240.124131	184.5
[M+Na-2H]-	202.084946	144.6
[M]+	181.10973142	140.8
[M]-	181.11082858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe