CID 130772823

1856854-20-0

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

C#CCCN1CCCC2(C1)CCC2

InChI

InChI=1S/C12H19N/c1-2-3-9-13-10-5-8-12(11-13)6-4-7-12/h1H,3-11H2

InChIKey

IZINQRCHETWQHF-UHFFFAOYSA-N

Compound name

6-but-3-ynyl-6-azaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.15175 Da
Monoisotopic Mass: 2.5
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]+	178.15903	142.9
[M+Na]+	200.14097	149.6
[M+NH4]+	195.18557	146.3
[M+K]+	216.11491	139.8
[M-H]-	176.14447	135.3
[M+Na-2H]-	198.12642	144.4
[M]+	177.15120	140.0
[M]-	177.15230	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.