CID 131751483

Furomammea d

Structural Information

Molecular Formula
C22H28O7
SMILES
CCCC1=CC(=O)OC2=C(C(=C3CC(OC3=C12)C(C)(C)OO)O)C(=O)CC(C)C
InChI
InChI=1S/C22H28O7/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)29-26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
InChIKey
KTMGXZPJSXTUNM-UHFFFAOYSA-N
Compound name
2-(2-hydroperoxypropan-2-yl)-4-hydroxy-5-(3-methylbutanoyl)-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.1835 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19078 196.0
[M+Na]+ 427.17272 203.2
[M-H]- 403.17622 200.4
[M+NH4]+ 422.21732 207.3
[M+K]+ 443.14666 202.8
[M+H-H2O]+ 387.18076 191.0
[M+HCOO]- 449.18170 207.9
[M+CH3COO]- 463.19735 224.7
[M+Na-2H]- 425.15817 196.4
[M]+ 404.18295 204.3
[M]- 404.18405 204.3
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

patents stripe