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]+ 281.138346 159.7
[M+Na]+ 303.120288 167.8
[M-H]- 279.123794 164.5
[M+NH4]+ 298.164893 182.6
[M+K]+ 319.094228 166.0
[M+H-H2O]+ 263.128330 157.1
[M+HCOO]- 325.129271 170.7
[M+CH3COO]- 339.144921 171.4
[M+Na-2H]- 301.105736 163.0
[M]+ 280.13052142 159.9
[M]- 280.13161858 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.