CID 14021140

4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCC2CC1OC2(C)C
InChI
InChI=1S/C10H18O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey
MGRKVRJGCZXQGW-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

154.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 133.5
[M+Na]+ 177.12499 141.1
[M-H]- 153.12849 137.0
[M+NH4]+ 172.16959 159.2
[M+K]+ 193.09893 140.5
[M+H-H2O]+ 137.13303 129.9
[M+HCOO]- 199.13397 151.6
[M+CH3COO]- 213.14962 178.2
[M+Na-2H]- 175.11044 139.6
[M]+ 154.13522 132.5
[M]- 154.13632 132.5
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

patents stripe