CID 21909238

Refchem:486467

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

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

InChI

InChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9-11,13H,1H2,2-7H3

InChIKey

KQHNSYOQXVRMSX-UHFFFAOYSA-N

Compound name

3,5,6,6-tetramethyl-4-methylideneheptan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1571
Patents: 184.18271 Da
Monoisotopic Mass: 4.0
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]+	185.189986	146.7
[M+Na]+	207.171928	151.2
[M-H]-	183.175434	145.4
[M+NH4]+	202.216533	166.2
[M+K]+	223.145868	150.7
[M+H-H2O]+	167.179970	142.9
[M+HCOO]-	229.180911	162.1
[M+CH3COO]-	243.196561	186.9
[M+Na-2H]-	205.157376	146.1
[M]+	184.18216142	146.0
[M]-	184.18325858	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe