CID 44521069

Balsamiferone

Structural Information

Molecular Formula
C19H22O3
SMILES
CC(=CCC1=CC2=CC(=C(C=C2OC1=O)O)CC=C(C)C)C
InChI
InChI=1S/C19H22O3/c1-12(2)5-7-14-9-16-10-15(8-6-13(3)4)19(21)22-18(16)11-17(14)20/h5-6,9-11,20H,7-8H2,1-4H3
InChIKey
DTWBKFLILHBTHQ-UHFFFAOYSA-N
Compound name
7-hydroxy-3,6-bis(3-methylbut-2-enyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1569 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 170.7
[M+Na]+ 321.14612 178.9
[M-H]- 297.14962 174.7
[M+NH4]+ 316.19072 185.8
[M+K]+ 337.12006 175.0
[M+H-H2O]+ 281.15416 164.2
[M+HCOO]- 343.15510 188.5
[M+CH3COO]- 357.17075 205.4
[M+Na-2H]- 319.13157 172.0
[M]+ 298.15635 174.1
[M]- 298.15745 174.1
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.