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

7
Annotation Hits: 55
References: 7687
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]+	171.137956	137.5
[M+Na]+	193.119898	144.5
[M-H]-	169.123404	140.3
[M+NH4]+	188.164503	160.0
[M+K]+	209.093838	144.0
[M+H-H2O]+	153.127940	134.5
[M+HCOO]-	215.128881	156.2
[M+CH3COO]-	229.144531	176.6
[M+Na-2H]-	191.105346	143.2
[M]+	170.13013142	136.8
[M]-	170.13122858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe