CID 53384377

738-90-9

Structural Information

Molecular Formula
C16H16O6
SMILES
C1CCC23C(=O)OC(=O)C2(C1)C45C3(CCCC4)C(=O)OC5=O
InChI
InChI=1S/C16H16O6/c17-9-13-5-1-2-6-14(13,10(18)21-9)16-8-4-3-7-15(13,16)11(19)22-12(16)20/h1-8H2
InChIKey
YRPOEHNJJZOQJH-UHFFFAOYSA-N
Compound name
14,17-dioxapentacyclo[6.4.3.32,7.01,8.02,7]octadecane-13,15,16,18-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

304.0947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 166.1
[M+Na]+ 327.08392 169.2
[M+NH4]+ 322.12852 174.8
[M+K]+ 343.05786 164.0
[M-H]- 303.08742 167.2
[M+Na-2H]- 325.06937 168.2
[M]+ 304.09415 166.0
[M]- 304.09525 166.0
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

patents stripe