CID 118446

Propylamine, 1-ethyl-n,n,1-trimethyl-, hydrobromide

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

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

InChI

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

InChIKey

CDXIIEOYOOWWLT-UHFFFAOYSA-N

Compound name

N,N,3-trimethylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 129.15175 Da
Monoisotopic Mass: 2.3
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	131.2
[M+Na]+	152.140968	137.5
[M-H]-	128.144474	133.1
[M+NH4]+	147.185573	154.2
[M+K]+	168.114908	138.6
[M+H-H2O]+	112.149010	126.8
[M+HCOO]-	174.149951	154.4
[M+CH3COO]-	188.165601	182.1
[M+Na-2H]-	150.126416	137.4
[M]+	129.15120142	133.3
[M]-	129.15229858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe