CID 10975

Myrcenol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

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

InChIKey

DUNCVNHORHNONW-UHFFFAOYSA-N

Compound name

2-methyl-6-methylideneoct-7-en-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 7
References: 4981
Patents: 154.13577 Da
Monoisotopic Mass: 3.0
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	137.5
[M+Na]+	177.124988	143.5
[M-H]-	153.128494	136.2
[M+NH4]+	172.169593	158.1
[M+K]+	193.098928	141.5
[M+H-H2O]+	137.133030	133.6
[M+HCOO]-	199.133971	156.6
[M+CH3COO]-	213.149621	177.9
[M+Na-2H]-	175.110436	141.5
[M]+	154.13522142	137.3
[M]-	154.13631858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe