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]+ 155.10666 126.1
[M+Na]+ 177.08860 133.0
[M-H]- 153.09210 131.4
[M+NH4]+ 172.13320 142.9
[M+K]+ 193.06254 136.0
[M+H-H2O]+ 137.09664 117.7
[M+HCOO]- 199.09758 144.3
[M+CH3COO]- 213.11323 180.6
[M+Na-2H]- 175.07405 133.8
[M]+ 154.09883 134.2
[M]- 154.09993 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