CID 4657540

2-methyl-1-phenyl-2-pentanol

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

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

InChI

InChI=1S/C12H18O/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3

InChIKey

MJHGBEOFMCDYKW-UHFFFAOYSA-N

Compound name

2-methyl-1-phenylpentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.13577 Da
Monoisotopic Mass: 3.0
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]+	179.14305	141.7
[M+Na]+	201.12499	147.9
[M-H]-	177.12849	143.6
[M+NH4]+	196.16959	161.3
[M+K]+	217.09893	145.3
[M+H-H2O]+	161.13303	136.4
[M+HCOO]-	223.13397	162.5
[M+CH3COO]-	237.14962	180.2
[M+Na-2H]-	199.11044	148.5
[M]+	178.13522	141.8
[M]-	178.13632	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe