CID 117275

1-phenylhexan-2-ol

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

CCCCC(CC1=CC=CC=C1)O

InChI

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

InChIKey

JIYIWMCPWCFVCA-UHFFFAOYSA-N

Compound name

1-phenylhexan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 89
Patents: 178.13577 Da
Monoisotopic Mass: 3.6
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	141.8
[M+Na]+	201.12499	153.9
[M+NH4]+	196.16959	150.6
[M+K]+	217.09893	146.7
[M-H]-	177.12849	144.0
[M+Na-2H]-	199.11044	148.4
[M]+	178.13522	144.1
[M]-	178.13632	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe