CID 386288

Nsc678045

Structural Information

Molecular Formula
C20H24O3
SMILES
COC1=CC=C(C=C1)C2C(O2)C(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H24O3/c1-22-16-4-2-15(3-5-16)17-18(23-17)19(21)20-9-12-6-13(10-20)8-14(7-12)11-20/h2-5,12-14,17-18H,6-11H2,1H3
InChIKey
PKSXYICAEYVKMJ-UHFFFAOYSA-N
Compound name
1-adamantyl-[3-(4-methoxyphenyl)oxiran-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 168.4
[M+Na]+ 335.161768 172.0
[M-H]- 311.165274 170.6
[M+NH4]+ 330.206373 183.2
[M+K]+ 351.135708 169.3
[M+H-H2O]+ 295.169810 159.1
[M+HCOO]- 357.170751 172.4
[M+CH3COO]- 371.186401 175.9
[M+Na-2H]- 333.147216 176.2
[M]+ 312.17200142 172.7
[M]- 312.17309858 172.7
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.