CID 14276

Perhydroazocine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

C1CCCNCCC1

InChI

InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2

InChIKey

QXNDZONIWRINJR-UHFFFAOYSA-N

Compound name

azocane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 18954
Patents: 113.12045 Da
Monoisotopic Mass: 1.5
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]+	114.12773	135.7
[M+Na]+	136.10967	139.3
[M-H]-	112.11317	136.0
[M+NH4]+	131.15427	144.9
[M+K]+	152.08361	139.9
[M+H-H2O]+	96.117710	132.3
[M+HCOO]-	158.11865	143.9
[M+CH3COO]-	172.13430	214.5
[M+Na-2H]-	134.09512	137.4
[M]+	113.11990	132.4
[M]-	113.12100	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe