CID 165793085

6,6-dimethylspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(CCC2(C1)CC(=O)C2)C
InChI
InChI=1S/C10H16O/c1-9(2)3-4-10(7-9)5-8(11)6-10/h3-7H2,1-2H3
InChIKey
JEYVCYXARHLYHQ-UHFFFAOYSA-N
Compound name
7,7-dimethylspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 130.4
[M+Na]+ 175.10934 137.4
[M-H]- 151.11284 136.6
[M+NH4]+ 170.15394 151.3
[M+K]+ 191.08328 138.2
[M+H-H2O]+ 135.11738 123.3
[M+HCOO]- 197.11832 151.2
[M+CH3COO]- 211.13397 178.9
[M+Na-2H]- 173.09479 135.8
[M]+ 152.11957 136.9
[M]- 152.12067 136.9
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.