CID 23282816

2402836-87-5

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C1CNCCC12C=C2

InChI

InChI=1S/C7H11N/c1-2-7(1)3-5-8-6-4-7/h1-2,8H,3-6H2

InChIKey

KLECFLVJTVYAGI-UHFFFAOYSA-N

Compound name

6-azaspiro[2.5]oct-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 109.08915 Da
Monoisotopic Mass: 0.9
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]+	110.09643	125.9
[M+Na]+	132.07837	134.2
[M-H]-	108.08187	129.6
[M+NH4]+	127.12297	143.8
[M+K]+	148.05231	132.3
[M+H-H2O]+	92.086410	119.9
[M+HCOO]-	154.08735	145.7
[M+CH3COO]-	168.10300	138.7
[M+Na-2H]-	130.06382	135.0
[M]+	109.08860	122.7
[M]-	109.08970	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe