CID 107354

2-methyl-2-phenylheptan-4-ol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCC(CC(C)(C)C1=CC=CC=C1)O

InChI

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

InChIKey

ARNFSIFLXMFHBV-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylheptan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	207.174346	150.9
[M+Na]+	229.156288	156.0
[M-H]-	205.159794	152.6
[M+NH4]+	224.200893	169.3
[M+K]+	245.130228	153.4
[M+H-H2O]+	189.164330	145.4
[M+HCOO]-	251.165271	170.0
[M+CH3COO]-	265.180921	187.0
[M+Na-2H]-	227.141736	155.4
[M]+	206.16652142	151.1
[M]-	206.16761858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.