CID 11031793

.beta.-d-mannopyranose, 1,6

Structural Information

Molecular Formula
C13H14O4
SMILES
C1[C@@H]2[C@H]([C@H]3[C@H](O3)[C@H](O1)O2)OCC4=CC=CC=C4
InChI
InChI=1S/C13H14O4/c1-2-4-8(5-3-1)6-14-10-9-7-15-13(16-9)12-11(10)17-12/h1-5,9-13H,6-7H2/t9-,10-,11+,12+,13-/m1/s1
InChIKey
YVZYNXNBLFZJNU-NAWOPXAZSA-N
Compound name
(1R,2S,4S,5R,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 150.9
[M+Na]+ 257.07842 165.1
[M+NH4]+ 252.12302 161.2
[M+K]+ 273.05236 162.3
[M-H]- 233.08192 164.6
[M+Na-2H]- 255.06387 156.0
[M]+ 234.08865 158.1
[M]- 234.08975 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe