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]+ 241.107056 153.1
[M+Na]+ 263.088998 157.6
[M-H]- 239.092504 156.7
[M+NH4]+ 258.133603 165.5
[M+K]+ 279.062938 157.4
[M+H-H2O]+ 223.097040 146.5
[M+HCOO]- 285.097981 167.5
[M+CH3COO]- 299.113631 183.8
[M+Na-2H]- 261.074446 157.1
[M]+ 240.09923142 150.4
[M]- 240.10032858 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.