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 144.8
[M+Na]+ 233.07842 150.6
[M-H]- 209.08192 149.9
[M+NH4]+ 228.12302 159.4
[M+K]+ 249.05236 150.4
[M+H-H2O]+ 193.08646 138.3
[M+HCOO]- 255.08740 161.9
[M+CH3COO]- 269.10305 179.8
[M+Na-2H]- 231.06387 151.0
[M]+ 210.08865 142.7
[M]- 210.08975 142.7
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.