CID 23282878

2751615-56-0

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]+	124.112076	123.4
[M+Na]+	146.094018	128.3
[M-H]-	122.097524	125.9
[M+NH4]+	141.138623	139.3
[M+K]+	162.067958	129.0
[M+H-H2O]+	106.102060	113.2
[M+HCOO]-	168.103001	141.2
[M+CH3COO]-	182.118651	169.9
[M+Na-2H]-	144.079466	131.8
[M]+	123.10425142	125.4
[M]-	123.10534858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe