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]+ 155.143046 133.5
[M+Na]+ 177.124988 141.1
[M-H]- 153.128494 137.0
[M+NH4]+ 172.169593 159.2
[M+K]+ 193.098928 140.5
[M+H-H2O]+ 137.133030 129.9
[M+HCOO]- 199.133971 151.6
[M+CH3COO]- 213.149621 178.2
[M+Na-2H]- 175.110436 139.6
[M]+ 154.13522142 132.5
[M]- 154.13631858 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