CID 22934789

Benzyl 3-hydroxycyclobutanecarboxylate

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1C(CC1O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H14O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2

InChIKey

XNZBUAFOVHWZNQ-UHFFFAOYSA-N

Compound name

benzyl 3-hydroxycyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 206.0943 Da
Monoisotopic Mass: 1.4
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]+	207.10158	144.5
[M+Na]+	229.08352	151.5
[M+NH4]+	224.12812	148.4
[M+K]+	245.05746	147.9
[M-H]-	205.08702	144.1
[M+Na-2H]-	227.06897	148.4
[M]+	206.09375	144.0
[M]-	206.09485	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe