CID 174535

2-ethyl-n,n-dimethylbutylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCC(CC)CN(C)C

InChI

InChI=1S/C8H19N/c1-5-8(6-2)7-9(3)4/h8H,5-7H2,1-4H3

InChIKey

INQYGHQWXMXAIN-UHFFFAOYSA-N

Compound name

2-ethyl-N,N-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
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	132.5
[M+Na]+	152.140968	138.0
[M-H]-	128.144474	134.1
[M+NH4]+	147.185573	155.2
[M+K]+	168.114908	139.2
[M+H-H2O]+	112.149010	127.4
[M+HCOO]-	174.149951	156.2
[M+CH3COO]-	188.165601	182.6
[M+Na-2H]-	150.126416	136.8
[M]+	129.15120142	134.4
[M]-	129.15229858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe