CID 5746914

111052-71-2

Structural Information

Molecular Formula
C19H26O3
SMILES
CCCCCC1=CC2=C(C=C1O)OC(=O)C(=C2C)CCCC
InChI
InChI=1S/C19H26O3/c1-4-6-8-9-14-11-16-13(3)15(10-7-5-2)19(21)22-18(16)12-17(14)20/h11-12,20H,4-10H2,1-3H3
InChIKey
ZBIHOLUXWKOYOA-UHFFFAOYSA-N
Compound name
3-butyl-7-hydroxy-4-methyl-6-pentylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1882 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 172.7
[M+Na]+ 325.17742 187.0
[M+NH4]+ 320.22202 180.2
[M+K]+ 341.15136 179.0
[M-H]- 301.18092 176.4
[M+Na-2H]- 323.16287 176.7
[M]+ 302.18765 175.9
[M]- 302.18875 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.