CID 55280009

5-azaspiro[3.4]octane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2(C1)CCCN2

InChI

InChI=1S/C7H13N/c1-3-7(4-1)5-2-6-8-7/h8H,1-6H2

InChIKey

FOMNEVDLMZUAJY-UHFFFAOYSA-N

Compound name

5-azaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 317
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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]+	112.112076	120.7
[M+Na]+	134.094018	125.6
[M-H]-	110.097524	123.3
[M+NH4]+	129.138623	138.7
[M+K]+	150.067958	126.6
[M+H-H2O]+	94.102060	111.2
[M+HCOO]-	156.103001	139.4
[M+CH3COO]-	170.118651	167.2
[M+Na-2H]-	132.079466	127.2
[M]+	111.10425142	123.0
[M]-	111.10534858	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe