CID 103388

2,6,10,10-tetramethyl-1-oxaspiro(4.5)decan-7-one

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1CCC2(O1)C(C(=O)CCC2(C)C)C
InChI
InChI=1S/C13H22O2/c1-9-5-8-13(15-9)10(2)11(14)6-7-12(13,3)4/h9-10H,5-8H2,1-4H3
InChIKey
UGLUSFJDQNOYMH-UHFFFAOYSA-N
Compound name
2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

210.16199 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 145.6
[M+Na]+ 233.15121 153.3
[M-H]- 209.15471 152.0
[M+NH4]+ 228.19581 169.9
[M+K]+ 249.12515 152.3
[M+H-H2O]+ 193.15925 142.0
[M+HCOO]- 255.16019 163.6
[M+CH3COO]- 269.17584 187.0
[M+Na-2H]- 231.13666 149.1
[M]+ 210.16144 143.4
[M]- 210.16254 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe