CID 69668

1,4-dioxaspiro[4.4]non-6-ene

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1CC2(C=C1)OCCO2

InChI

InChI=1S/C7H10O2/c1-2-4-7(3-1)8-5-6-9-7/h1,3H,2,4-6H2

InChIKey

ATFWVBMLTLPOHI-UHFFFAOYSA-N

Compound name

1,4-dioxaspiro[4.4]non-8-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 354
Patents: 126.06808 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]+	127.07536	123.9
[M+Na]+	149.05730	134.0
[M+NH4]+	144.10190	135.0
[M+K]+	165.03124	130.8
[M-H]-	125.06080	128.7
[M+Na-2H]-	147.04275	130.0
[M]+	126.06753	126.7
[M]-	126.06863	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe