CID 386287

Nsc678044

Structural Information

Molecular Formula
C19H22O3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)O
InChI
InChI=1S/C19H22O3/c20-15-3-1-14(2-4-15)16-17(22-16)18(21)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16-17,20H,5-10H2
InChIKey
QVCRRWLRMOGIHT-UHFFFAOYSA-N
Compound name
1-adamantyl-[3-(4-hydroxyphenyl)oxiran-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 162.9
[M+Na]+ 321.14612 166.8
[M-H]- 297.14962 164.1
[M+NH4]+ 316.19072 177.8
[M+K]+ 337.12006 163.5
[M+H-H2O]+ 281.15416 154.4
[M+HCOO]- 343.15510 166.0
[M+CH3COO]- 357.17075 170.4
[M+Na-2H]- 319.13157 171.2
[M]+ 298.15635 165.7
[M]- 298.15745 165.7
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.