CID 75525697

4,4-diethylazepane

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CCC1(CCCNCC1)CC

InChI

InChI=1S/C10H21N/c1-3-10(4-2)6-5-8-11-9-7-10/h11H,3-9H2,1-2H3

InChIKey

HXPJBAVMNKVDLR-UHFFFAOYSA-N

Compound name

4,4-diethylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 155.1674 Da
Monoisotopic Mass: 2.9
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]+	156.174676	133.5
[M+Na]+	178.156618	136.0
[M-H]-	154.160124	134.4
[M+NH4]+	173.201223	152.7
[M+K]+	194.130558	137.6
[M+H-H2O]+	138.164660	127.7
[M+HCOO]-	200.165601	149.9
[M+CH3COO]-	214.181251	177.3
[M+Na-2H]-	176.142066	138.5
[M]+	155.16685142	125.3
[M]-	155.16794858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe