CID 132327626

7,7-dimethyl-6-oxaspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(CC2(CC(=O)C2)CO1)C
InChI
InChI=1S/C9H14O2/c1-8(2)5-9(6-11-8)3-7(10)4-9/h3-6H2,1-2H3
InChIKey
SZCPXHMMLOJZOF-UHFFFAOYSA-N
Compound name
7,7-dimethyl-6-oxaspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 125.6
[M+Na]+ 177.088598 132.8
[M-H]- 153.092104 132.5
[M+NH4]+ 172.133203 145.2
[M+K]+ 193.062538 135.5
[M+H-H2O]+ 137.096640 118.8
[M+HCOO]- 199.097581 146.1
[M+CH3COO]- 213.113231 177.8
[M+Na-2H]- 175.074046 132.9
[M]+ 154.09883142 133.8
[M]- 154.09992858 133.8
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

No patent data available for this compound.