CID 203797

Sweroside aglycone

Structural Information

Molecular Formula
C10H12O4
SMILES
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O
InChI
InChI=1S/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
InChIKey
HBAKFDGYROBYSH-BKPPORCPSA-N
Compound name
(3R,4R,4aS)-4-ethenyl-3-hydroxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 138.8
[M+Na]+ 219.06278 146.1
[M-H]- 195.06628 143.1
[M+NH4]+ 214.10738 156.1
[M+K]+ 235.03672 145.9
[M+H-H2O]+ 179.07082 133.5
[M+HCOO]- 241.07176 155.0
[M+CH3COO]- 255.08741 181.2
[M+Na-2H]- 217.04823 145.2
[M]+ 196.07301 137.2
[M]- 196.07411 137.2
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

patents stripe