CID 84647911

4,7-diazaspiro[2.6]nonane dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1CC12CCNCCN2

InChI

InChI=1S/C7H14N2/c1-2-7(1)3-4-8-5-6-9-7/h8-9H,1-6H2

InChIKey

IGNVXSGDOWAEBU-UHFFFAOYSA-N

Compound name

4,7-diazaspiro[2.6]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 126.1157 Da
Monoisotopic Mass: -0.1
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]+	127.122976	126.4
[M+Na]+	149.104918	131.2
[M-H]-	125.108424	127.8
[M+NH4]+	144.149523	140.2
[M+K]+	165.078858	132.0
[M+H-H2O]+	109.112960	119.1
[M+HCOO]-	171.113901	141.4
[M+CH3COO]-	185.129551	136.7
[M+Na-2H]-	147.090366	133.5
[M]+	126.11515142	117.7
[M]-	126.11624858	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe