CID 22764270

4-tert-butylazepane

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(C)(C)C1CCCNCC1

InChI

InChI=1S/C10H21N/c1-10(2,3)9-5-4-7-11-8-6-9/h9,11H,4-8H2,1-3H3

InChIKey

LAHPNGGYIWAYMX-UHFFFAOYSA-N

Compound name

4-tert-butylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 155.1674 Da
Monoisotopic Mass: 2.6
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]+	156.17468	136.4
[M+Na]+	178.15662	144.4
[M+NH4]+	173.20122	144.0
[M+K]+	194.13056	140.5
[M-H]-	154.16012	136.9
[M+Na-2H]-	176.14207	141.0
[M]+	155.16685	137.6
[M]-	155.16795	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe