CID 6549

Linalool

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3

InChIKey

CDOSHBSSFJOMGT-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-1,6-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 1908
References: 117495
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
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]+	155.143046	137.7
[M+Na]+	177.124988	143.8
[M-H]-	153.128494	136.4
[M+NH4]+	172.169593	158.4
[M+K]+	193.098928	141.8
[M+H-H2O]+	137.133030	133.9
[M+HCOO]-	199.133971	156.8
[M+CH3COO]-	213.149621	177.2
[M+Na-2H]-	175.110436	141.7
[M]+	154.13522142	137.4
[M]-	154.13631858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe