CID 3070529

Brn 5101880

Structural Information

Molecular Formula
C19H22O4
SMILES
CC1=CC(=CC(=C1O)C)C(=O)C2=C(C(=O)OC23CCCCC3)C
InChI
InChI=1S/C19H22O4/c1-11-9-14(10-12(2)16(11)20)17(21)15-13(3)18(22)23-19(15)7-5-4-6-8-19/h9-10,20H,4-8H2,1-3H3
InChIKey
XJJCTCZLMUECEU-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3,5-dimethylbenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 173.1
[M+Na]+ 337.14102 184.8
[M+NH4]+ 332.18562 181.7
[M+K]+ 353.11496 179.3
[M-H]- 313.14452 177.9
[M+Na-2H]- 335.12647 178.5
[M]+ 314.15125 176.2
[M]- 314.15235 176.2
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.