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]+ 157.122316 142.6
[M+Na]+ 179.104258 148.6
[M-H]- 155.107764 143.4
[M+NH4]+ 174.148863 166.0
[M+K]+ 195.078198 150.3
[M+H-H2O]+ 139.112300 137.6
[M+HCOO]- 201.113241 157.8
[M+CH3COO]- 215.128891 180.0
[M+Na-2H]- 177.089706 150.5
[M]+ 156.11449142 155.8
[M]- 156.11558858 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