CID 417956

1-butylazepane

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CCCCN1CCCCCC1

InChI

InChI=1S/C10H21N/c1-2-3-8-11-9-6-4-5-7-10-11/h2-10H2,1H3

InChIKey

IIUDBWFOJYPWAK-UHFFFAOYSA-N

Compound name

1-butylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 155.1674 Da
Monoisotopic Mass: 2.7
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]+	156.174676	132.5
[M+Na]+	178.156618	134.5
[M-H]-	154.160124	134.4
[M+NH4]+	173.201223	150.5
[M+K]+	194.130558	137.2
[M+H-H2O]+	138.164660	126.1
[M+HCOO]-	200.165601	150.4
[M+CH3COO]-	214.181251	180.3
[M+Na-2H]-	176.142066	137.1
[M]+	155.16685142	126.0
[M]-	155.16794858	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe