CID 14433036

122458-07-5

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 159.7
[M+Na]+ 303.12029 167.8
[M-H]- 279.12379 164.5
[M+NH4]+ 298.16489 182.6
[M+K]+ 319.09423 166.0
[M+H-H2O]+ 263.12833 157.1
[M+HCOO]- 325.12927 170.7
[M+CH3COO]- 339.14492 171.4
[M+Na-2H]- 301.10574 163.0
[M]+ 280.13052 159.9
[M]- 280.13162 159.9
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.