CID 10569291

Compound np-003027

Structural Information

Molecular Formula
C16H22O8
SMILES
CC1CC(=O)OC(C(/C=C/C(=O)OC(C(/C=C/C(=O)O1)O)C)O)C
InChI
InChI=1S/C16H22O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4-7,9-13,17-18H,8H2,1-3H3/b6-4+,7-5+
InChIKey
MJMMUATWVTYSFD-YDFGWWAZSA-N
Compound name
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13147 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.138746 174.8
[M+Na]+ 365.120688 182.4
[M-H]- 341.124194 177.9
[M+NH4]+ 360.165293 180.7
[M+K]+ 381.094628 184.3
[M+H-H2O]+ 325.128730 173.2
[M+HCOO]- 387.129671 187.5
[M+CH3COO]- 401.145321 201.1
[M+Na-2H]- 363.106136 174.3
[M]+ 342.13092142 173.5
[M]- 342.13201858 173.5
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.