CID 146050164

7,7-dimethylspiro[3.5]nonan-2-one

Structural Information

Molecular Formula
C11H18O
SMILES
CC1(CCC2(CC1)CC(=O)C2)C
InChI
InChI=1S/C11H18O/c1-10(2)3-5-11(6-4-10)7-9(12)8-11/h3-8H2,1-2H3
InChIKey
LVGCQQNLTFZVNT-UHFFFAOYSA-N
Compound name
7,7-dimethylspiro[3.5]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 134.9
[M+Na]+ 189.12499 140.8
[M-H]- 165.12849 140.6
[M+NH4]+ 184.16959 153.5
[M+K]+ 205.09893 141.9
[M+H-H2O]+ 149.13303 126.7
[M+HCOO]- 211.13397 153.3
[M+CH3COO]- 225.14962 182.0
[M+Na-2H]- 187.11044 140.9
[M]+ 166.13522 139.7
[M]- 166.13632 139.7
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.