CID 118448

Propylamine, n,1-diethyl-n,1-dimethyl-, hydrobromide

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

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

InChI

InChI=1S/C9H21N/c1-6-9(4,7-2)10(5)8-3/h6-8H2,1-5H3

InChIKey

FFLCZIDXVPAHBF-UHFFFAOYSA-N

Compound name

N-ethyl-N,3-dimethylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.1674 Da
Monoisotopic Mass: 2.7
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]+	144.174676	136.0
[M+Na]+	166.156618	141.8
[M-H]-	142.160124	137.6
[M+NH4]+	161.201223	158.4
[M+K]+	182.130558	142.6
[M+H-H2O]+	126.164660	131.3
[M+HCOO]-	188.165601	158.8
[M+CH3COO]-	202.181251	185.1
[M+Na-2H]-	164.142066	141.6
[M]+	143.16685142	138.4
[M]-	143.16794858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe