CID 117167

Dodecan-2-amine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CCCCCCCCCCC(C)N

InChI

InChI=1S/C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11,13H2,1-2H3

InChIKey

VXUXKOBYNVVANW-UHFFFAOYSA-N

Compound name

dodecan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 366
Patents: 185.21436 Da
Monoisotopic Mass: 4.8
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]+	186.221636	151.6
[M+Na]+	208.203578	155.3
[M-H]-	184.207084	150.3
[M+NH4]+	203.248183	171.2
[M+K]+	224.177518	153.6
[M+H-H2O]+	168.211620	145.9
[M+HCOO]-	230.212561	172.8
[M+CH3COO]-	244.228211	190.4
[M+Na-2H]-	206.189026	153.3
[M]+	185.21381142	152.7
[M]-	185.21490858	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe