CID 155820615

2460739-67-5

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]+ 143.10666 129.1
[M+Na]+ 165.08860 137.7
[M+NH4]+ 160.13320 139.9
[M+K]+ 181.06254 134.5
[M-H]- 141.09210 130.2
[M+Na-2H]- 163.07405 131.4
[M]+ 142.09883 130.5
[M]- 142.09993 130.5
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.