CID 12496130

N,n-diethylheptylamine

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCCCCN(CC)CC

InChI

InChI=1S/C11H25N/c1-4-7-8-9-10-11-12(5-2)6-3/h4-11H2,1-3H3

InChIKey

YUCNJMBRLIZNMO-UHFFFAOYSA-N

Compound name

N,N-diethylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 171.1987 Da
Monoisotopic Mass: 3.9
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]+	172.205976	146.1
[M+Na]+	194.187918	150.5
[M-H]-	170.191424	146.9
[M+NH4]+	189.232523	167.1
[M+K]+	210.161858	150.4
[M+H-H2O]+	154.195960	140.2
[M+HCOO]-	216.196901	169.7
[M+CH3COO]-	230.212551	190.9
[M+Na-2H]-	192.173366	149.9
[M]+	171.19815142	149.7
[M]-	171.19924858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe