CID 18320509

Bis(3-methoxypropyl)amine

Structural Information

Molecular Formula

C₈H₁₉NO₂

SMILES

COCCCNCCCOC

InChI

InChI=1S/C8H19NO2/c1-10-7-3-5-9-6-4-8-11-2/h9H,3-8H2,1-2H3

InChIKey

ZIAYVOSJNZNSQK-UHFFFAOYSA-N

Compound name

3-methoxy-N-(3-methoxypropyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 161.14159 Da
Monoisotopic Mass: 0.2
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]+	162.148866	137.8
[M+Na]+	184.130808	143.2
[M-H]-	160.134314	137.6
[M+NH4]+	179.175413	158.5
[M+K]+	200.104748	143.4
[M+H-H2O]+	144.138850	132.2
[M+HCOO]-	206.139791	162.4
[M+CH3COO]-	220.155441	182.0
[M+Na-2H]-	182.116256	144.0
[M]+	161.14104142	142.0
[M]-	161.14213858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe