CID 22310

Linalool oxide

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1(CCC(O1)C(C)(C)O)C=C

InChI

InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3

InChIKey

BRHDDEIRQPDPMG-UHFFFAOYSA-N

Compound name

2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 55
References: 7502
Patents: 170.13068 Da
Monoisotopic Mass: 1.4
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]+	171.13796	138.3
[M+Na]+	193.11990	147.3
[M+NH4]+	188.16450	147.3
[M+K]+	209.09384	143.1
[M-H]-	169.12340	139.3
[M+Na-2H]-	191.10535	142.4
[M]+	170.13013	139.8
[M]-	170.13123	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe