CID 100031

Carvone oxide

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

6
Annotation Hits: 1
References: 126
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]+	167.106656	136.2
[M+Na]+	189.088598	146.1
[M-H]-	165.092104	142.6
[M+NH4]+	184.133203	154.0
[M+K]+	205.062538	145.4
[M+H-H2O]+	149.096640	131.7
[M+HCOO]-	211.097581	154.4
[M+CH3COO]-	225.113231	183.8
[M+Na-2H]-	187.074046	142.5
[M]+	166.09883142	138.8
[M]-	166.09992858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe