CID 5746912

2h-1-benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-

Structural Information

Molecular Formula
C18H24O3
SMILES
CCCCC1=CC2=C(C=C1O)OC(=O)C(=C2C)CCCC
InChI
InChI=1S/C18H24O3/c1-4-6-8-13-10-15-12(3)14(9-7-5-2)18(20)21-17(15)11-16(13)19/h10-11,19H,4-9H2,1-3H3
InChIKey
PAHZYYAHSYWEKY-UHFFFAOYSA-N
Compound name
3,6-dibutyl-7-hydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.17255 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 168.1
[M+Na]+ 311.16177 182.6
[M+NH4]+ 306.20637 175.8
[M+K]+ 327.13571 174.9
[M-H]- 287.16527 171.8
[M+Na-2H]- 309.14722 172.4
[M]+ 288.17200 171.4
[M]- 288.17310 171.4
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.