CID 90037175

Rac-(3r,4r)-4-phenyloxolan-3-ol, cis

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1[C@@H]([C@@H](CO1)O)C2=CC=CC=C2

InChI

InChI=1S/C10H12O2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10-/m1/s1

InChIKey

DMERZAYEXRFPAW-NXEZZACHSA-N

Compound name

(3S,4S)-4-phenyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 164.08372 Da
Monoisotopic Mass: 1.0
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]+	165.09100	133.8
[M+Na]+	187.07294	146.0
[M+NH4]+	182.11754	143.1
[M+K]+	203.04688	141.8
[M-H]-	163.07644	138.6
[M+Na-2H]-	185.05839	140.7
[M]+	164.08317	136.8
[M]-	164.08427	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe