CID 67078164

942144-50-5

Structural Information

Molecular Formula
C8H16O2
SMILES
C[C@@H]1CC(C[C@@H](O1)C)CO
InChI
InChI=1S/C8H16O2/c1-6-3-8(5-9)4-7(2)10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8?
InChIKey
KHFIZKRUGALHGI-DHBOJHSNSA-N
Compound name
[(2R,6S)-2,6-dimethyloxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.1
[M+Na]+ 167.10426 137.4
[M-H]- 143.10776 133.8
[M+NH4]+ 162.14886 151.1
[M+K]+ 183.07820 137.5
[M+H-H2O]+ 127.11230 126.3
[M+HCOO]- 189.11324 149.7
[M+CH3COO]- 203.12889 173.0
[M+Na-2H]- 165.08971 136.1
[M]+ 144.11449 128.8
[M]- 144.11559 128.8
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