CID 154271

3208-25-1

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

C1=CC=C(C=C1)CCCCCCCO

InChI

InChI=1S/C13H20O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11,14H,1-3,5,8-9,12H2

InChIKey

UXMUSYTXSNVRMW-UHFFFAOYSA-N

Compound name

7-phenylheptan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1044
Patents: 192.15141 Da
Monoisotopic Mass: 4.5
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]+	193.15869	146.2
[M+Na]+	215.14063	151.4
[M-H]-	191.14413	147.5
[M+NH4]+	210.18523	165.0
[M+K]+	231.11457	148.2
[M+H-H2O]+	175.14867	140.0
[M+HCOO]-	237.14961	168.2
[M+CH3COO]-	251.16526	182.9
[M+Na-2H]-	213.12608	151.8
[M]+	192.15086	147.1
[M]-	192.15196	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe