CID 14433036

Dihydromarasmone

Structural Information

Molecular Formula
C15H20O5
SMILES
CC1(C2CC=C3COC4C3C2(C(CC1O)O)C(=O)O4)C
InChI
InChI=1S/C15H20O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-12,16-17H,4-6H2,1-2H3
InChIKey
OWJATCNSNAVKNO-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 159.2
[M+Na]+ 303.12029 167.5
[M+NH4]+ 298.16489 170.0
[M+K]+ 319.09423 163.9
[M-H]- 279.12379 161.8
[M+Na-2H]- 301.10574 159.2
[M]+ 280.13052 161.1
[M]- 280.13162 161.1
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.