CID 90807

2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CCC(CC1)C2(CCC(=O)C(O2)(C)C)C
InChI
InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12H,6-10H2,1-4H3
InChIKey
MJWZYBQLHJQQJJ-UHFFFAOYSA-N
Compound name
2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

236.17763 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 153.4
[M+Na]+ 259.166848 159.6
[M-H]- 235.170354 160.4
[M+NH4]+ 254.211453 174.1
[M+K]+ 275.140788 158.8
[M+H-H2O]+ 219.174890 147.9
[M+HCOO]- 281.175831 170.0
[M+CH3COO]- 295.191481 192.8
[M+Na-2H]- 257.152296 157.4
[M]+ 236.17708142 150.4
[M]- 236.17817858 150.4
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

No patent data available for this compound.