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)C24CCCCC45C3(C1)C(=O)OC5=O
InChI
InChI=1S/C16H16O6/c17-9-13-5-1-2-6-14(13)10(18)22-12(20)16(14)8-4-3-7-15(13,16)11(19)21-9/h1-8H2
InChIKey
SPRKYEVSRWMNSG-UHFFFAOYSA-N
Compound name
3,12-dioxapentacyclo[12.4.0.01,5.05,10.010,14]octadecane-2,4,11,13-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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 155.9
[M+Na]+ 327.08392 162.1
[M-H]- 303.08742 166.2
[M+NH4]+ 322.12852 174.8
[M+K]+ 343.05786 163.6
[M+H-H2O]+ 287.09196 149.3
[M+HCOO]- 349.09290 167.7
[M+CH3COO]- 363.10855 167.7
[M+Na-2H]- 325.06937 161.3
[M]+ 304.09415 164.2
[M]- 304.09525 164.2
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