CID 165838017

7,7,9,9-tetramethylspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C14H24O
SMILES
CC1(CC(CC2(C1)CCCC2=O)(C)C)C
InChI
InChI=1S/C14H24O/c1-12(2)8-13(3,4)10-14(9-12)7-5-6-11(14)15/h5-10H2,1-4H3
InChIKey
HTOQIWSLGCSWHE-UHFFFAOYSA-N
Compound name
7,7,9,9-tetramethylspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 147.4
[M+Na]+ 231.17193 154.8
[M-H]- 207.17543 153.1
[M+NH4]+ 226.21653 174.7
[M+K]+ 247.14587 152.2
[M+H-H2O]+ 191.17997 143.7
[M+HCOO]- 253.18091 165.8
[M+CH3COO]- 267.19656 186.8
[M+Na-2H]- 229.15738 151.0
[M]+ 208.18216 143.5
[M]- 208.18326 143.5
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.