CID 44803

4-heptylamine, n,n-diethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCC(CCC)N(CC)CC

InChI

InChI=1S/C11H25N/c1-5-9-11(10-6-2)12(7-3)8-4/h11H,5-10H2,1-4H3

InChIKey

QJKCZLSMWLCRQZ-UHFFFAOYSA-N

Compound name

N,N-diethylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 171.1987 Da
Monoisotopic Mass: 3.6
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	146.6
[M+Na]+	194.187918	150.9
[M-H]-	170.191424	147.6
[M+NH4]+	189.232523	167.7
[M+K]+	210.161858	151.2
[M+H-H2O]+	154.195960	140.9
[M+HCOO]-	216.196901	169.3
[M+CH3COO]-	230.212551	191.7
[M+Na-2H]-	192.173366	149.2
[M]+	171.19815142	149.6
[M]-	171.19924858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe