CID 102611

Linalool oxide (5-ring)

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(=CCCC(C)(C1CO1)O)C

InChI

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

InChIKey

BXOURKNXQXLKRK-UHFFFAOYSA-N

Compound name

6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 27
References: 190
Patents: 170.13068 Da
Monoisotopic Mass: 1.8
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	138.6
[M+Na]+	193.11990	146.4
[M-H]-	169.12340	142.4
[M+NH4]+	188.16450	152.7
[M+K]+	209.09384	145.1
[M+H-H2O]+	153.12794	133.2
[M+HCOO]-	215.12888	157.3
[M+CH3COO]-	229.14453	181.9
[M+Na-2H]-	191.10535	144.4
[M]+	170.13013	142.4
[M]-	170.13123	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe