CID 520110

6-phenyl-1-hexanol

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

C1=CC=C(C=C1)CCCCCCO

InChI

InChI=1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2

InChIKey

FDXBUMXUJRZANT-UHFFFAOYSA-N

Compound name

6-phenylhexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3672
Patents: 178.13577 Da
Monoisotopic Mass: 3.9
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	141.6
[M+Na]+	201.12499	147.3
[M-H]-	177.12849	143.1
[M+NH4]+	196.16959	161.0
[M+K]+	217.09893	144.2
[M+H-H2O]+	161.13303	135.6
[M+HCOO]-	223.13397	163.9
[M+CH3COO]-	237.14962	179.8
[M+Na-2H]-	199.11044	147.7
[M]+	178.13522	142.1
[M]-	178.13632	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe