CID 70684457

Mammea b/ac cyclo d

Structural Information

Molecular Formula
C21H24O5
SMILES
CCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)CCC)(C)C
InChI
InChI=1S/C21H24O5/c1-5-7-12-11-15(23)25-19-13-9-10-21(3,4)26-20(13)17(14(22)8-6-2)18(24)16(12)19/h9-11,24H,5-8H2,1-4H3
InChIKey
SMRSMFDNXPPPCA-UHFFFAOYSA-N
Compound name
6-butanoyl-5-hydroxy-8,8-dimethyl-4-propylpyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.16238 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 183.8
[M+Na]+ 379.15160 193.8
[M-H]- 355.15510 189.9
[M+NH4]+ 374.19620 198.3
[M+K]+ 395.12554 192.0
[M+H-H2O]+ 339.15964 176.7
[M+HCOO]- 401.16058 199.1
[M+CH3COO]- 415.17623 217.7
[M+Na-2H]- 377.13705 188.0
[M]+ 356.16183 191.3
[M]- 356.16293 191.3
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.