CID 5320424

Refchem:1093166

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CCC2C(=O)C3=C(CCC13C2(C)C)C
InChI
InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3
InChIKey
JAWSHISYWRRQQQ-UHFFFAOYSA-N
Compound name
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.0
[M+Na]+ 241.15629 160.5
[M-H]- 217.15979 156.1
[M+NH4]+ 236.20089 180.2
[M+K]+ 257.13023 156.2
[M+H-H2O]+ 201.16433 147.7
[M+HCOO]- 263.16527 169.3
[M+CH3COO]- 277.18092 192.3
[M+Na-2H]- 239.14174 153.2
[M]+ 218.16652 151.0
[M]- 218.16762 151.0
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

No patent data available for this compound.