CID 70906

1185-93-9

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCC(C)(CC)NCC

InChI

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

InChIKey

YTNWPKDTFCHUOH-UHFFFAOYSA-N

Compound name

N-ethyl-3-methylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 330
Patents: 129.15175 Da
Monoisotopic Mass: 2.2
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	132.0
[M+Na]+	152.140968	138.0
[M-H]-	128.144474	132.3
[M+NH4]+	147.185573	154.3
[M+K]+	168.114908	137.7
[M+H-H2O]+	112.149010	127.7
[M+HCOO]-	174.149951	154.6
[M+CH3COO]-	188.165601	178.5
[M+Na-2H]-	150.126416	138.9
[M]+	129.15120142	132.8
[M]-	129.15229858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe