CID 91496

Limonene oxide

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=C)C1CCC2(C(C1)O2)C

InChI

InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3

InChIKey

CCEFMUBVSUDRLG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 62
References: 8763
Patents: 152.12012 Da
Monoisotopic Mass: 2.5
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]+	153.12740	134.4
[M+Na]+	175.10934	143.2
[M-H]-	151.11284	140.4
[M+NH4]+	170.15394	152.6
[M+K]+	191.08328	142.9
[M+H-H2O]+	135.11738	129.6
[M+HCOO]-	197.11832	152.4
[M+CH3COO]-	211.13397	181.5
[M+Na-2H]-	173.09479	141.3
[M]+	152.11957	135.8
[M]-	152.12067	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe