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]+ 357.169656 183.8
[M+Na]+ 379.151598 193.8
[M-H]- 355.155104 189.9
[M+NH4]+ 374.196203 198.3
[M+K]+ 395.125538 192.0
[M+H-H2O]+ 339.159640 176.7
[M+HCOO]- 401.160581 199.1
[M+CH3COO]- 415.176231 217.7
[M+Na-2H]- 377.137046 188.0
[M]+ 356.16183142 191.3
[M]- 356.16292858 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.