CID 94645

Tert-dodecanamine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CC(C)(C)CCCCCCCCN

InChI

InChI=1S/C12H27N/c1-12(2,3)10-8-6-4-5-7-9-11-13/h4-11,13H2,1-3H3

InChIKey

YZHGXHWIBUSYOW-UHFFFAOYSA-N

Compound name

9,9-dimethyldecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	151.1
[M+Na]+	208.203578	155.5
[M-H]-	184.207084	150.1
[M+NH4]+	203.248183	170.9
[M+K]+	224.177518	153.8
[M+H-H2O]+	168.211620	146.0
[M+HCOO]-	230.212561	171.8
[M+CH3COO]-	244.228211	189.2
[M+Na-2H]-	206.189026	154.7
[M]+	185.21381142	152.3
[M]-	185.21490858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe