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

literature stripe

Patent stripe

patents stripe