CID 44546134

Mammea b/ac

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CCC)O
InChI
InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-14(10-9-12(3)4)19(24)18(15(22)8-6-2)20(25)17(13)21/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey
HDHKEYMZRICGLG-UHFFFAOYSA-N
Compound name
6-butanoyl-5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.178 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 186.2
[M+Na]+ 381.16722 198.2
[M+NH4]+ 376.21182 190.9
[M+K]+ 397.14116 192.9
[M-H]- 357.17072 187.3
[M+Na-2H]- 379.15267 187.0
[M]+ 358.17745 188.1
[M]- 358.17855 188.1
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.