CID 85852

9-oxabicyclo[3.3.1]nonane-2,6-diol

Structural Information

Molecular Formula
C8H14O3
SMILES
C1CC2C(CCC(C1O)O2)O
InChI
InChI=1S/C8H14O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2
InChIKey
SIZKKURETCQUKI-UHFFFAOYSA-N
Compound name
9-oxabicyclo[3.3.1]nonane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

158.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 131.1
[M+Na]+ 181.083518 136.6
[M-H]- 157.087024 131.5
[M+NH4]+ 176.128123 151.1
[M+K]+ 197.057458 135.8
[M+H-H2O]+ 141.091560 126.6
[M+HCOO]- 203.092501 145.1
[M+CH3COO]- 217.108151 172.1
[M+Na-2H]- 179.068966 137.9
[M]+ 158.09375142 126.3
[M]- 158.09484858 126.3
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