CID 22609921

3-(benzyloxy)cyclobutanol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C1C(CC1OCC2=CC=CC=C2)O

InChI

InChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

ZGSDRBWWICYJBU-UHFFFAOYSA-N

Compound name

3-phenylmethoxycyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 744
Patents: 178.09938 Da
Monoisotopic Mass: 1.5
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]+	179.106656	133.4
[M+Na]+	201.088598	138.9
[M-H]-	177.092104	138.5
[M+NH4]+	196.133203	146.3
[M+K]+	217.062538	139.8
[M+H-H2O]+	161.096640	122.3
[M+HCOO]-	223.097581	154.6
[M+CH3COO]-	237.113231	181.5
[M+Na-2H]-	199.074046	139.3
[M]+	178.09883142	141.2
[M]-	178.09992858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe