CID 21997836

6,6-dimethylheptan-1-amine hydrochloride

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CC(C)(C)CCCCCN

InChI

InChI=1S/C9H21N/c1-9(2,3)7-5-4-6-8-10/h4-8,10H2,1-3H3

InChIKey

NNUMRIGSTCXICO-UHFFFAOYSA-N

Compound name

6,6-dimethylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 143.1674 Da
Monoisotopic Mass: 3.2
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]+	144.17468	137.3
[M+Na]+	166.15662	143.0
[M-H]-	142.16012	136.9
[M+NH4]+	161.20122	158.8
[M+K]+	182.13056	142.1
[M+H-H2O]+	126.16466	132.9
[M+HCOO]-	188.16560	159.0
[M+CH3COO]-	202.18125	180.1
[M+Na-2H]-	164.14207	142.5
[M]+	143.16685	137.4
[M]-	143.16795	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.