CID 21405

2-aminohexane

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCCCC(C)N

InChI

InChI=1S/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3

InChIKey

WGBBUURBHXLGFM-UHFFFAOYSA-N

Compound name

hexan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 5462
Patents: 101.12045 Da
Monoisotopic Mass: 1.5
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]+	102.12773	124.0
[M+Na]+	124.10967	130.2
[M-H]-	100.11317	123.9
[M+NH4]+	119.15427	146.9
[M+K]+	140.08361	130.1
[M+H-H2O]+	84.117710	119.5
[M+HCOO]-	146.11865	147.2
[M+CH3COO]-	160.13430	172.1
[M+Na-2H]-	122.09512	129.0
[M]+	101.11990	122.8
[M]-	101.12100	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe