CID 23282878

7-azaspiro[3.5]non-1-enehydrochloride

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C1CNCCC12CC=C2

InChI

InChI=1S/C8H13N/c1-2-8(3-1)4-6-9-7-5-8/h1-2,9H,3-7H2

InChIKey

HKLFVGMXKDJCOK-UHFFFAOYSA-N

Compound name

7-azaspiro[3.5]non-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 123.1048 Da
Monoisotopic Mass: 1.2
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]+	124.11208	123.4
[M+Na]+	146.09402	128.3
[M-H]-	122.09752	125.9
[M+NH4]+	141.13862	139.3
[M+K]+	162.06796	129.0
[M+H-H2O]+	106.10206	113.2
[M+HCOO]-	168.10300	141.2
[M+CH3COO]-	182.11865	169.9
[M+Na-2H]-	144.07947	131.8
[M]+	123.10425	125.4
[M]-	123.10535	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe