CID 418817

3-azaspiro[5.6]dodecane hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

C1CCCC2(CC1)CCNCC2

InChI

InChI=1S/C11H21N/c1-2-4-6-11(5-3-1)7-9-12-10-8-11/h12H,1-10H2

InChIKey

MFHUQHWMLMXUAH-UHFFFAOYSA-N

Compound name

3-azaspiro[5.6]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 167.1674 Da
Monoisotopic Mass: 3.4
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]+	168.17468	138.7
[M+Na]+	190.15662	139.1
[M-H]-	166.16012	140.7
[M+NH4]+	185.20122	157.0
[M+K]+	206.13056	139.5
[M+H-H2O]+	150.16466	131.8
[M+HCOO]-	212.16560	152.0
[M+CH3COO]-	226.18125	148.0
[M+Na-2H]-	188.14207	143.4
[M]+	167.16685	124.7
[M]-	167.16795	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe