CID 14433033

Anhydromarasmone

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1(C=CC(=O)C23C1CC=C4C2C(OC4)OC3=O)C
InChI
InChI=1S/C15H16O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,5-6,9,11-12H,4,7H2,1-2H3
InChIKey
CJZUKWREGMGONS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadeca-3,8-diene-2,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.112136 153.2
[M+Na]+ 283.094078 162.8
[M-H]- 259.097584 160.9
[M+NH4]+ 278.138683 178.1
[M+K]+ 299.068018 161.2
[M+H-H2O]+ 243.102120 149.6
[M+HCOO]- 305.103061 168.9
[M+CH3COO]- 319.118711 166.7
[M+Na-2H]- 281.079526 158.3
[M]+ 260.10431142 155.5
[M]- 260.10540858 155.5
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

No patent data available for this compound.