CID 104069

Alpha,alpha-diisopropylphenethyl alcohol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC(C)C(CC1=CC=CC=C1)(C(C)C)O

InChI

InChI=1S/C14H22O/c1-11(2)14(15,12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3

InChIKey

SCUFFASZSQKIIG-UHFFFAOYSA-N

Compound name

3-benzyl-2,4-dimethylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 206.16707 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]+	207.17435	150.5
[M+Na]+	229.15629	155.3
[M-H]-	205.15979	152.3
[M+NH4]+	224.20089	168.9
[M+K]+	245.13023	153.2
[M+H-H2O]+	189.16433	145.1
[M+HCOO]-	251.16527	168.6
[M+CH3COO]-	265.18092	187.9
[M+Na-2H]-	227.14174	153.8
[M]+	206.16652	150.1
[M]-	206.16762	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe