CID 138039578

2241138-95-2

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC12CC(C1)(OC2)CO
InChI
InChI=1S/C8H14O2/c1-2-7-3-8(4-7,5-9)10-6-7/h9H,2-6H2,1H3
InChIKey
FEBGNVHJCXQJHU-UHFFFAOYSA-N
Compound name
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 134.8
[M+Na]+ 165.08860 141.7
[M-H]- 141.09210 135.8
[M+NH4]+ 160.13320 158.9
[M+K]+ 181.06254 143.2
[M+H-H2O]+ 125.09664 129.9
[M+HCOO]- 187.09758 151.5
[M+CH3COO]- 201.11323 176.4
[M+Na-2H]- 163.07405 144.7
[M]+ 142.09883 148.5
[M]- 142.09993 148.5
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.