CID 24805

4-ethyl-1-methyloctylamine

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCC(CC)CCC(C)N

InChI

InChI=1S/C11H25N/c1-4-6-7-11(5-2)9-8-10(3)12/h10-11H,4-9,12H2,1-3H3

InChIKey

TYUUCUBAWUQCSY-UHFFFAOYSA-N

Compound name

5-ethylnonan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	172.20598	147.8
[M+Na]+	194.18792	151.6
[M-H]-	170.19142	146.8
[M+NH4]+	189.23252	167.8
[M+K]+	210.16186	150.6
[M+H-H2O]+	154.19596	142.3
[M+HCOO]-	216.19690	168.3
[M+CH3COO]-	230.21255	188.2
[M+Na-2H]-	192.17337	148.7
[M]+	171.19815	147.8
[M]-	171.19925	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe