CID 389266

Nsc685019

Structural Information

Molecular Formula
C14H14O6
SMILES
CC(C)OC1=C(C(=O)C1=O)C2=C(C(=O)C2=O)OC(C)C
InChI
InChI=1S/C14H14O6/c1-5(2)19-13-7(9(15)11(13)17)8-10(16)12(18)14(8)20-6(3)4/h5-6H,1-4H3
InChIKey
DWRQWMINOCNLCA-UHFFFAOYSA-N
Compound name
3-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.07904 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08632 151.1
[M+Na]+ 301.06826 158.5
[M-H]- 277.07176 158.5
[M+NH4]+ 296.11286 154.5
[M+K]+ 317.04220 163.7
[M+H-H2O]+ 261.07630 135.2
[M+HCOO]- 323.07724 172.0
[M+CH3COO]- 337.09289 213.7
[M+Na-2H]- 299.05371 150.4
[M]+ 278.07849 176.2
[M]- 278.07959 176.2
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.