CID 14785278

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

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+/m0/s1
InChIKey
DMERZAYEXRFPAW-VHSXEESVSA-N
Compound name
(3S,4R)-4-phenyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

164.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.8
[M+Na]+ 187.07294 139.6
[M-H]- 163.07644 138.8
[M+NH4]+ 182.11754 153.1
[M+K]+ 203.04688 138.4
[M+H-H2O]+ 147.08098 127.3
[M+HCOO]- 209.08192 154.5
[M+CH3COO]- 223.09757 173.1
[M+Na-2H]- 185.05839 138.4
[M]+ 164.08317 130.4
[M]- 164.08427 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe