CID 494485

Nsc625124

Structural Information

Molecular Formula
C15H16O10
SMILES
COC(=O)C1C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C15H16O10/c1-21-11(16)6-7(12(17)22-2)9(14(19)24-4)10(15(20)25-5)8(6)13(18)23-3/h6H,1-5H3
InChIKey
NJNIOTQAGXGMFK-UHFFFAOYSA-N
Compound name
pentamethyl cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

356.07434 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08162 168.3
[M+Na]+ 379.06356 175.8
[M-H]- 355.06706 172.7
[M+NH4]+ 374.10816 183.0
[M+K]+ 395.03750 178.5
[M+H-H2O]+ 339.07160 162.9
[M+HCOO]- 401.07254 189.7
[M+CH3COO]- 415.08819 212.5
[M+Na-2H]- 377.04901 164.6
[M]+ 356.07379 180.2
[M]- 356.07489 180.2
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

No patent data available for this compound.