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]+ 313.17983 168.4
[M+Na]+ 335.16177 172.0
[M-H]- 311.16527 170.6
[M+NH4]+ 330.20637 183.2
[M+K]+ 351.13571 169.3
[M+H-H2O]+ 295.16981 159.1
[M+HCOO]- 357.17075 172.4
[M+CH3COO]- 371.18640 175.9
[M+Na-2H]- 333.14722 176.2
[M]+ 312.17200 172.7
[M]- 312.17310 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.