CID 5271319

Schembl5046134

Structural Information

Molecular Formula
C12H16O4
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC=CC=C2)CO)O
InChI
InChI=1S/C12H16O4/c1-15-12-10(14)9(7-13)16-11(12)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3/t9-,10-,11+,12-/m1/s1
InChIKey
NMOIFWSDMSECMI-WISYIIOYSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-phenyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 148.0
[M+Na]+ 247.09408 155.1
[M-H]- 223.09758 153.0
[M+NH4]+ 242.13868 165.6
[M+K]+ 263.06802 153.6
[M+H-H2O]+ 207.10212 142.4
[M+HCOO]- 269.10306 167.9
[M+CH3COO]- 283.11871 183.3
[M+Na-2H]- 245.07953 150.8
[M]+ 224.10431 148.2
[M]- 224.10541 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe