CID 55278963

1-azaspiro[3.4]octane

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCC2(C1)CCN2

InChI

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

InChIKey

DFAKAYKNPJMQSX-UHFFFAOYSA-N

Compound name

1-azaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
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]+	112.11208	122.9
[M+Na]+	134.09402	128.0
[M+NH4]+	129.13862	129.9
[M+K]+	150.06796	124.1
[M-H]-	110.09752	121.9
[M+Na-2H]-	132.07947	127.0
[M]+	111.10425	122.1
[M]-	111.10535	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe