CID 10398572

Spiro(5.5)undec-8-en-1-one, 2,2,7,9-tetramethyl-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1C=C(CCC12CCCC(C2=O)(C)C)C
InChI
InChI=1S/C15H24O/c1-11-6-9-15(12(2)10-11)8-5-7-14(3,4)13(15)16/h10,12H,5-9H2,1-4H3
InChIKey
IEODHCKRVCQYNH-UHFFFAOYSA-N
Compound name
3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

110
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 150.3
[M+Na]+ 243.17193 157.2
[M-H]- 219.17543 155.9
[M+NH4]+ 238.21653 173.6
[M+K]+ 259.14587 154.5
[M+H-H2O]+ 203.17997 145.2
[M+HCOO]- 265.18091 167.6
[M+CH3COO]- 279.19656 191.0
[M+Na-2H]- 241.15738 153.8
[M]+ 220.18216 145.9
[M]- 220.18326 145.9
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

patents stripe