CID 7832

106-86-5

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C=CC1CCC2C(C1)O2

InChI

InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2

InChIKey

SLJFKNONPLNAPF-UHFFFAOYSA-N

Compound name

3-ethenyl-7-oxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 13633
Patents: 124.08881 Da
Monoisotopic Mass: 1.7
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]+	125.09609	124.9
[M+Na]+	147.07803	138.2
[M+NH4]+	142.12263	135.3
[M+K]+	163.05197	133.3
[M-H]-	123.08153	135.2
[M+Na-2H]-	145.06348	132.1
[M]+	124.08826	130.8
[M]-	124.08936	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe