CID 54687946

1-oxaspiro[4.5]dec-3-en-2-one, 3-(cyclopropylphenylmethyl)-4-hydroxy-

Structural Information

Molecular Formula
C19H22O3
SMILES
C1CCC2(CC1)C(=C(C(=O)O2)C(C3CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C19H22O3/c20-17-16(18(21)22-19(17)11-5-2-6-12-19)15(14-9-10-14)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,20H,2,5-6,9-12H2
InChIKey
NKFXICHFNUIJEJ-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1569 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 165.3
[M+Na]+ 321.14612 171.8
[M-H]- 297.14962 176.3
[M+NH4]+ 316.19072 177.3
[M+K]+ 337.12006 169.3
[M+H-H2O]+ 281.15416 159.0
[M+HCOO]- 343.15510 181.9
[M+CH3COO]- 357.17075 176.1
[M+Na-2H]- 319.13157 166.8
[M]+ 298.15635 163.8
[M]- 298.15745 163.8
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.