CID 8920

Dihexylamine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CCCCCCNCCCCCC

InChI

InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3

InChIKey

PXSXRABJBXYMFT-UHFFFAOYSA-N

Compound name

N-hexylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 32687
Patents: 185.21436 Da
Monoisotopic Mass: 4.5
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]+	186.221636	150.2
[M+Na]+	208.203578	154.1
[M-H]-	184.207084	149.3
[M+NH4]+	203.248183	170.1
[M+K]+	224.177518	152.3
[M+H-H2O]+	168.211620	144.4
[M+HCOO]-	230.212561	173.0
[M+CH3COO]-	244.228211	190.3
[M+Na-2H]-	206.189026	154.3
[M]+	185.21381142	153.0
[M]-	185.21490858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe