CID 21119908

Ns00051403

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC[C@@H]2[C@@H](O2)C[C@@H](C1)O
InChI
InChI=1S/C8H14O2/c9-6-3-1-2-4-7-8(5-6)10-7/h6-9H,1-5H2/t6-,7-,8+/m1/s1
InChIKey
FHRVMGIEUUPKQO-PRJMDXOYSA-N
Compound name
(1S,3R,8R)-9-oxabicyclo[6.1.0]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.8
[M+Na]+ 165.088598 136.4
[M-H]- 141.092104 133.3
[M+NH4]+ 160.133203 138.3
[M+K]+ 181.062538 137.2
[M+H-H2O]+ 125.096640 127.9
[M+HCOO]- 187.097581 139.4
[M+CH3COO]- 201.113231 136.8
[M+Na-2H]- 163.074046 133.7
[M]+ 142.09883142 131.1
[M]- 142.09992858 131.1
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.