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

1
Patents

166.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 134.9
[M+Na]+ 189.124988 140.8
[M-H]- 165.128494 140.6
[M+NH4]+ 184.169593 153.5
[M+K]+ 205.098928 141.9
[M+H-H2O]+ 149.133030 126.7
[M+HCOO]- 211.133971 153.3
[M+CH3COO]- 225.149621 182.0
[M+Na-2H]- 187.110436 140.9
[M]+ 166.13522142 139.7
[M]- 166.13631858 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

patents stripe