CID 138039580

2241140-54-3

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)C12CC(C1)(OC2)CO
InChI
InChI=1S/C9H16O2/c1-7(2)8-3-9(4-8,5-10)11-6-8/h7,10H,3-6H2,1-2H3
InChIKey
LFARKNPHTWBYSS-UHFFFAOYSA-N
Compound name
(4-propan-2-yl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 142.6
[M+Na]+ 179.10426 148.6
[M-H]- 155.10776 143.4
[M+NH4]+ 174.14886 166.0
[M+K]+ 195.07820 150.3
[M+H-H2O]+ 139.11230 137.6
[M+HCOO]- 201.11324 157.8
[M+CH3COO]- 215.12889 180.0
[M+Na-2H]- 177.08971 150.5
[M]+ 156.11449 155.8
[M]- 156.11559 155.8
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