CID 3023999

94201-66-8

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CC(CC(=O)O1)C2C(=CCCC2(C)C)C
InChI
InChI=1S/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h6,11-12,14H,5,7-9H2,1-4H3
InChIKey
BAIZNVNREZOVOH-UHFFFAOYSA-N
Compound name
6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 154.5
[M+Na]+ 259.166848 160.7
[M-H]- 235.170354 161.6
[M+NH4]+ 254.211453 173.5
[M+K]+ 275.140788 159.6
[M+H-H2O]+ 219.174890 148.7
[M+HCOO]- 281.175831 171.1
[M+CH3COO]- 295.191481 194.3
[M+Na-2H]- 257.152296 156.6
[M]+ 236.17708142 151.6
[M]- 236.17817858 151.6
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.