CID 108425

Iso-methyl tetrahydroionol

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CC1CCCC(C1CC(C)C(C)O)(C)C

InChI

InChI=1S/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3

InChIKey

HMENPFAAAQWASO-UHFFFAOYSA-N

Compound name

3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 47
Patents: 212.21402 Da
Monoisotopic Mass: 4.8
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]+	213.221296	153.8
[M+Na]+	235.203238	157.9
[M-H]-	211.206744	155.2
[M+NH4]+	230.247843	174.2
[M+K]+	251.177178	156.4
[M+H-H2O]+	195.211280	149.5
[M+HCOO]-	257.212221	169.0
[M+CH3COO]-	271.227871	190.5
[M+Na-2H]-	233.188686	153.3
[M]+	212.21347142	150.6
[M]-	212.21456858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe