CID 522428

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(C2C(C1=O)CCCO2)C
InChI
InChI=1S/C9H14O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6,8H,3-5H2,1-2H3
InChIKey
KLTAJTHKXFNMDQ-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 126.1
[M+Na]+ 177.088598 133.0
[M-H]- 153.092104 131.4
[M+NH4]+ 172.133203 142.9
[M+K]+ 193.062538 136.0
[M+H-H2O]+ 137.096640 117.7
[M+HCOO]- 199.097581 144.3
[M+CH3COO]- 213.113231 180.6
[M+Na-2H]- 175.074046 133.8
[M]+ 154.09883142 134.2
[M]- 154.09992858 134.2
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