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]+ 143.10666 130.0
[M+Na]+ 165.08860 137.8
[M-H]- 141.09210 132.3
[M+NH4]+ 160.13320 156.8
[M+K]+ 181.06254 137.2
[M+H-H2O]+ 125.09664 127.3
[M+HCOO]- 187.09758 149.6
[M+CH3COO]- 201.11323 170.6
[M+Na-2H]- 163.07405 136.0
[M]+ 142.09883 129.7
[M]- 142.09993 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.