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]+ 155.10666 125.6
[M+Na]+ 177.08860 132.8
[M-H]- 153.09210 132.5
[M+NH4]+ 172.13320 145.2
[M+K]+ 193.06254 135.5
[M+H-H2O]+ 137.09664 118.8
[M+HCOO]- 199.09758 146.1
[M+CH3COO]- 213.11323 177.8
[M+Na-2H]- 175.07405 132.9
[M]+ 154.09883 133.8
[M]- 154.09993 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.