CID 100031

33204-74-9

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=C)C1CC2C(O2)(C(=O)C1)C

InChI

InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3

InChIKey

YGMNGQDLUQECTO-UHFFFAOYSA-N

Compound name

1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 139
Patents: 166.09938 Da
Monoisotopic Mass: 1.6
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]+	167.10666	136.9
[M+Na]+	189.08860	149.8
[M+NH4]+	184.13320	147.6
[M+K]+	205.06254	144.1
[M-H]-	165.09210	146.6
[M+Na-2H]-	187.07405	144.1
[M]+	166.09883	142.8
[M]-	166.09993	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe