CID 11075553

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

Structural Information

Molecular Formula
C12H16O5
SMILES
C1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2)[C@@H](CO)O)O
InChI
InChI=1S/C12H16O5/c13-6-9(14)11-10(15)7-16-12(17-11)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11-,12+/m1/s1
InChIKey
IENSYSQTQGXKIV-KKOKHZNYSA-N
Compound name
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09978 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 153.1
[M+Na]+ 263.08900 157.6
[M-H]- 239.09250 156.7
[M+NH4]+ 258.13360 165.5
[M+K]+ 279.06294 157.4
[M+H-H2O]+ 223.09704 146.5
[M+HCOO]- 285.09798 167.5
[M+CH3COO]- 299.11363 183.8
[M+Na-2H]- 261.07445 157.1
[M]+ 240.09923 150.4
[M]- 240.10033 150.4
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.