CID 21909238

81787-06-6

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

3
Annotation Hits: 1
References: 1642
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]+	185.18999	146.7
[M+Na]+	207.17193	151.2
[M-H]-	183.17543	145.4
[M+NH4]+	202.21653	166.2
[M+K]+	223.14587	150.7
[M+H-H2O]+	167.17997	142.9
[M+HCOO]-	229.18091	162.1
[M+CH3COO]-	243.19656	186.9
[M+Na-2H]-	205.15738	146.1
[M]+	184.18216	146.0
[M]-	184.18326	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe