CID 123483

39536-61-3

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCCCCNCCCC

InChI

InChI=1S/C9H21N/c1-3-5-7-9-10-8-6-4-2/h10H,3-9H2,1-2H3

InChIKey

AMJIVVJFADZSNZ-UHFFFAOYSA-N

Compound name

N-butylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1280
Patents: 143.1674 Da
Monoisotopic Mass: 3.4
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]+	144.174676	136.6
[M+Na]+	166.156618	141.7
[M-H]-	142.160124	136.3
[M+NH4]+	161.201223	158.1
[M+K]+	182.130558	140.7
[M+H-H2O]+	126.164660	131.3
[M+HCOO]-	188.165601	160.4
[M+CH3COO]-	202.181251	181.2
[M+Na-2H]-	164.142066	142.3
[M]+	143.16685142	138.2
[M]-	143.16794858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe