CID 11031793

33208-47-8

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

19
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 146.4
[M+Na]+ 257.07842 156.2
[M-H]- 233.08192 155.8
[M+NH4]+ 252.12302 159.9
[M+K]+ 273.05236 156.6
[M+H-H2O]+ 217.08646 140.6
[M+HCOO]- 279.08740 162.9
[M+CH3COO]- 293.10305 159.5
[M+Na-2H]- 255.06387 155.0
[M]+ 234.08865 153.0
[M]- 234.08975 153.0
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.