CID 118286

36207-25-7

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

CCC1=CC=C(C=C1)C(CC)CO

InChI

InChI=1S/C12H18O/c1-3-10-5-7-12(8-6-10)11(4-2)9-13/h5-8,11,13H,3-4,9H2,1-2H3

InChIKey

ALCFKGDNZCFGLU-UHFFFAOYSA-N

Compound name

2-(4-ethylphenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
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	141.3
[M+Na]+	201.12499	153.8
[M+NH4]+	196.16959	150.1
[M+K]+	217.09893	146.7
[M-H]-	177.12849	143.5
[M+Na-2H]-	199.11044	147.7
[M]+	178.13522	143.7
[M]-	178.13632	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.