CID 57767655

3-(benzyloxy)cyclopentan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

C1CC(CC1O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16O2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2

InChIKey

SFIICXXRMNDRQC-UHFFFAOYSA-N

Compound name

3-phenylmethoxycyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 192.11504 Da
Monoisotopic Mass: 1.9
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]+	193.122316	142.5
[M+Na]+	215.104258	148.3
[M-H]-	191.107764	147.5
[M+NH4]+	210.148863	162.9
[M+K]+	231.078198	145.6
[M+H-H2O]+	175.112300	136.4
[M+HCOO]-	237.113241	164.5
[M+CH3COO]-	251.128891	179.2
[M+Na-2H]-	213.089706	146.0
[M]+	192.11449142	140.2
[M]-	192.11558858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe