CID 54595944

1-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CC2(C1)CCN2

InChI

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

InChIKey

YKNUXXRRPRLOBW-UHFFFAOYSA-N

Compound name

1-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 190
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	122.0
[M+Na]+	120.07837	123.6
[M+NH4]+	115.12297	124.6
[M+K]+	136.05231	120.6
[M-H]-	96.081874	118.6
[M+Na-2H]-	118.06382	124.3
[M]+	97.088601	119.1
[M]-	97.089699	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe