CID 10703639

1,3-(s)-o-benzylidene-d-threitol

Structural Information

Molecular Formula
C11H14O4
SMILES
C1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2)CO)O
InChI
InChI=1S/C11H14O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11+/m1/s1
InChIKey
GUOMTMWCUMBRFX-MXWKQRLJSA-N
Compound name
(2S,4R,5R)-4-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.7
[M+Na]+ 233.07842 157.0
[M+NH4]+ 228.12302 152.4
[M+K]+ 249.05236 152.2
[M-H]- 209.08192 150.0
[M+Na-2H]- 231.06387 150.0
[M]+ 210.08865 147.8
[M]- 210.08975 147.8
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

No patent data available for this compound.