CID 165368735

(3s)-3-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-4-methylidenecyclohexan-1-one

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(=CCC1C(O1)(C)[C@H]2CC(=O)CCC2=C)C
InChI
InChI=1S/C15H22O2/c1-10(2)5-8-14-15(4,17-14)13-9-12(16)7-6-11(13)3/h5,13-14H,3,6-9H2,1-2,4H3/t13-,14?,15?/m0/s1
InChIKey
SRMVXSMAPQIPBH-NFOMZHRRSA-N
Compound name
(3S)-4-methylidene-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 153.6
[M+Na]+ 257.15121 161.7
[M-H]- 233.15471 161.6
[M+NH4]+ 252.19581 167.9
[M+K]+ 273.12515 159.9
[M+H-H2O]+ 217.15925 148.3
[M+HCOO]- 279.16019 171.0
[M+CH3COO]- 293.17584 196.5
[M+Na-2H]- 255.13666 155.5
[M]+ 234.16144 155.1
[M]- 234.16254 155.1
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.