CID 43108840

Schembl7778097

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCCCNCC(C)CC

InChI

InChI=1S/C11H25N/c1-4-6-7-8-9-12-10-11(3)5-2/h11-12H,4-10H2,1-3H3

InChIKey

HHPIHJIJYZUWKH-UHFFFAOYSA-N

Compound name

N-(2-methylbutyl)hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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]+	172.205976	146.7
[M+Na]+	194.187918	150.7
[M-H]-	170.191424	146.1
[M+NH4]+	189.232523	167.0
[M+K]+	210.161858	149.6
[M+H-H2O]+	154.195960	141.1
[M+HCOO]-	216.196901	168.8
[M+CH3COO]-	230.212551	188.1
[M+Na-2H]-	192.173366	150.0
[M]+	171.19815142	148.4
[M]-	171.19924858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe