CID 107076

68039-76-9

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(CC(C)(C)C)C(=C)CO

InChI

InChI=1S/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h8,11H,2,6-7H2,1,3-5H3

InChIKey

XSBHPGJXCJMNNT-UHFFFAOYSA-N

Compound name

3,5,5-trimethyl-2-methylidenehexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 156.15141 Da
Monoisotopic Mass: 3.3
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]+	157.158686	138.9
[M+Na]+	179.140628	144.6
[M-H]-	155.144134	137.8
[M+NH4]+	174.185233	159.7
[M+K]+	195.114568	143.6
[M+H-H2O]+	139.148670	135.2
[M+HCOO]-	201.149611	156.9
[M+CH3COO]-	215.165261	179.0
[M+Na-2H]-	177.126076	141.7
[M]+	156.15086142	138.8
[M]-	156.15195858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe