CID 20522198

4-azaspiro[2.4]heptane hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CC2(CC2)NC1

InChI

InChI=1S/C6H11N/c1-2-6(3-4-6)7-5-1/h7H,1-5H2

InChIKey

JDDQECMBPWVIRU-UHFFFAOYSA-N

Compound name

4-azaspiro[2.4]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 150
Patents: 97.08915 Da
Monoisotopic Mass: 0.7
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]+	98.096426	124.0
[M+Na]+	120.07837	135.5
[M+NH4]+	115.12297	135.4
[M+K]+	136.05231	130.7
[M-H]-	96.081874	132.6
[M+Na-2H]-	118.06382	133.2
[M]+	97.088601	129.1
[M]-	97.089699	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe