CID 86748

3,7-dimethyl-1-octen-3-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

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

InChI

InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3

InChIKey

IUDWWFNDSJRYRV-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 303
Patents: 156.15141 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]+	157.15869	139.2
[M+Na]+	179.14063	145.0
[M-H]-	155.14413	137.9
[M+NH4]+	174.18523	159.9
[M+K]+	195.11457	143.5
[M+H-H2O]+	139.14867	135.3
[M+HCOO]-	201.14961	158.1
[M+CH3COO]-	215.16526	178.8
[M+Na-2H]-	177.12608	143.1
[M]+	156.15086	139.7
[M]-	156.15196	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe