CID 155820615

Rac-[(1r,4s,5s)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

Structural Information

Molecular Formula
C8H14O2
SMILES
C[C@@]12C[C@H](CO1)[C@H](C2)CO
InChI
InChI=1S/C8H14O2/c1-8-2-6(4-9)7(3-8)5-10-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKey
YBQLULFEWALDFA-BWZBUEFSSA-N
Compound name
[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.0
[M+Na]+ 165.088598 137.8
[M-H]- 141.092104 132.3
[M+NH4]+ 160.133203 156.8
[M+K]+ 181.062538 137.2
[M+H-H2O]+ 125.096640 127.3
[M+HCOO]- 187.097581 149.6
[M+CH3COO]- 201.113231 170.6
[M+Na-2H]- 163.074046 136.0
[M]+ 142.09883142 129.7
[M]- 142.09992858 129.7
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.