CID 118440

Propylamine, 1,1-diethyl-n-methyl-, hydrochloride

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCC(CC)(CC)NC

InChI

InChI=1S/C8H19N/c1-5-8(6-2,7-3)9-4/h9H,5-7H2,1-4H3

InChIKey

GWIOFHOKFIEAGK-UHFFFAOYSA-N

Compound name

3-ethyl-N-methylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 129.15175 Da
Monoisotopic Mass: 2.4
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]+	130.15903	131.2
[M+Na]+	152.14097	140.8
[M+NH4]+	147.18557	139.6
[M+K]+	168.11491	135.0
[M-H]-	128.14447	131.5
[M+Na-2H]-	150.12642	135.5
[M]+	129.15120	132.6
[M]-	129.15230	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe