CID 186925

Methyldipentylamine

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCCN(C)CCCCC

InChI

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

InChIKey

JJRDPNRWFSHHKJ-UHFFFAOYSA-N

Compound name

N-methyl-N-pentylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3999
Patents: 171.1987 Da
Monoisotopic Mass: 3.8
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]+	172.20598	146.1
[M+Na]+	194.18792	150.5
[M-H]-	170.19142	146.9
[M+NH4]+	189.23252	167.1
[M+K]+	210.16186	150.4
[M+H-H2O]+	154.19596	140.2
[M+HCOO]-	216.19690	169.7
[M+CH3COO]-	230.21255	190.9
[M+Na-2H]-	192.17337	149.9
[M]+	171.19815	149.7
[M]-	171.19925	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe