CID 19069527

5,5-dimethoxy-pentylamine

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

COC(CCCCN)OC

InChI

InChI=1S/C7H17NO2/c1-9-7(10-2)5-3-4-6-8/h7H,3-6,8H2,1-2H3

InChIKey

QFHXMRXYGMDDIK-UHFFFAOYSA-N

Compound name

5,5-dimethoxypentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 147.12593 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]+	148.13321	132.8
[M+Na]+	170.11515	141.3
[M+NH4]+	165.15975	140.1
[M+K]+	186.08909	136.6
[M-H]-	146.11865	132.2
[M+Na-2H]-	168.10060	135.7
[M]+	147.12538	133.5
[M]-	147.12648	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe