CID 21923103

5-azaspiro[2.4]heptane hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CC12CCNC2

InChI

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

InChIKey

HOXWESKAHYABGO-UHFFFAOYSA-N

Compound name

5-azaspiro[2.4]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1728
Patents: 97.08915 Da
Monoisotopic Mass: 0.5
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]+	98.096426	122.5
[M+Na]+	120.078368	131.2
[M-H]-	96.081874	126.2
[M+NH4]+	115.122973	142.5
[M+K]+	136.052308	129.4
[M+H-H2O]+	80.086410	117.0
[M+HCOO]-	142.087351	143.0
[M+CH3COO]-	156.103001	135.9
[M+Na-2H]-	118.063816	129.8
[M]+	97.08860142	119.7
[M]-	97.08969858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe