CID 488497

(5s,6r,7s,9e)-6,7-dihydroxy-5-methyl-3,11-dioxabicyclo[8.1.0]undec-9-en-2-one

Structural Information

Molecular Formula
C10H14O5
SMILES
C[C@H]1COC(=O)C2C(=CC[C@@H]([C@@H]1O)O)O2
InChI
InChI=1S/C10H14O5/c1-5-4-14-10(13)9-7(15-9)3-2-6(11)8(5)12/h3,5-6,8-9,11-12H,2,4H2,1H3/t5-,6-,8+,9?/m0/s1
InChIKey
HPCSHBLMNBODRD-RRKDWRLDSA-N
Compound name
(5S,6R,7S)-6,7-dihydroxy-5-methyl-3,11-dioxabicyclo[8.1.0]undec-9-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 139.0
[M+Na]+ 237.07334 149.2
[M-H]- 213.07684 141.6
[M+NH4]+ 232.11794 148.5
[M+K]+ 253.04728 149.8
[M+H-H2O]+ 197.08138 137.6
[M+HCOO]- 259.08232 154.7
[M+CH3COO]- 273.09797 182.4
[M+Na-2H]- 235.05879 144.5
[M]+ 214.08357 140.8
[M]- 214.08467 140.8
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

No patent data available for this compound.