CID 158409

84012-63-5

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

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

InChI

InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-8,11H,1H2,2-4H3

InChIKey

RARYKHDLXILLFY-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-1,4,6-trien-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 152.12012 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]+	153.127396	136.1
[M+Na]+	175.109338	142.7
[M-H]-	151.112844	135.0
[M+NH4]+	170.153943	157.0
[M+K]+	191.083278	140.0
[M+H-H2O]+	135.117380	132.5
[M+HCOO]-	197.118321	155.5
[M+CH3COO]-	211.133971	175.5
[M+Na-2H]-	173.094786	140.2
[M]+	152.11957142	135.1
[M]-	152.12066858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe