CID 22563572

(4,4-dimethoxybutyl)(methyl)amine

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CNCCCC(OC)OC

InChI

InChI=1S/C7H17NO2/c1-8-6-4-5-7(9-2)10-3/h7-8H,4-6H2,1-3H3

InChIKey

WMVCCLHRNIGZRL-UHFFFAOYSA-N

Compound name

4,4-dimethoxy-N-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 147.12593 Da
Monoisotopic Mass: 0.4
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]+	148.13321	132.8
[M+Na]+	170.11515	141.6
[M+NH4]+	165.15975	140.3
[M+K]+	186.08909	136.7
[M-H]-	146.11865	132.4
[M+Na-2H]-	168.10060	136.1
[M]+	147.12538	133.6
[M]-	147.12648	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe