CID 448678

56065-46-4

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCC(CC)(CC)N

InChI

InChI=1S/C7H17N/c1-4-7(8,5-2)6-3/h4-6,8H2,1-3H3

InChIKey

JLEIRAYWBMNMKU-UHFFFAOYSA-N

Compound name

3-ethylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4826
Patents: 115.1361 Da
Monoisotopic Mass: 1.9
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]+	116.14338	127.9
[M+Na]+	138.12532	134.3
[M-H]-	114.12882	127.7
[M+NH4]+	133.16992	150.4
[M+K]+	154.09926	133.9
[M+H-H2O]+	98.133360	123.8
[M+HCOO]-	160.13430	150.2
[M+CH3COO]-	174.14995	174.7
[M+Na-2H]-	136.11077	134.2
[M]+	115.13555	127.2
[M]-	115.13665	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe