CID 61017

Tert-octylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CC(C)(C)CC(C)(C)N

InChI

InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3

InChIKey

QIJIUJYANDSEKG-UHFFFAOYSA-N

Compound name

2,4,4-trimethylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 10627
Patents: 129.15175 Da
Monoisotopic Mass: 2.0
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]+	130.159026	131.8
[M+Na]+	152.140968	138.4
[M-H]-	128.144474	131.9
[M+NH4]+	147.185573	154.0
[M+K]+	168.114908	138.1
[M+H-H2O]+	112.149010	128.2
[M+HCOO]-	174.149951	152.2
[M+CH3COO]-	188.165601	177.5
[M+Na-2H]-	150.126416	138.3
[M]+	129.15120142	130.9
[M]-	129.15229858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe