CID 53384377

Tricyclo[6.4.0.0(2,7)]dodecane-1,8:2,7-tetracarboxylic dianhydride

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

12
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 154.3
[M+Na]+ 327.08392 161.0
[M-H]- 303.08742 165.3
[M+NH4]+ 322.12852 172.9
[M+K]+ 343.05786 162.3
[M+H-H2O]+ 287.09196 147.7
[M+HCOO]- 349.09290 167.0
[M+CH3COO]- 363.10855 166.5
[M+Na-2H]- 325.06937 159.5
[M]+ 304.09415 161.5
[M]- 304.09525 161.5
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

patents stripe