CID 283933

Nsc627691

Structural Information

Molecular Formula
C16H18O10
SMILES
COC(=O)C1C2C(C(C1=O)C(=O)OC)C(C(=O)C2C(=O)OC)C(=O)OC
InChI
InChI=1S/C16H18O10/c1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2/h5-10H,1-4H3
InChIKey
SWCWCPQCKMRHID-UHFFFAOYSA-N
Compound name
tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.09 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09728 172.2
[M+Na]+ 393.07922 179.1
[M-H]- 369.08272 177.0
[M+NH4]+ 388.12382 189.0
[M+K]+ 409.05316 180.6
[M+H-H2O]+ 353.08726 169.3
[M+HCOO]- 415.08820 190.2
[M+CH3COO]- 429.10385 216.3
[M+Na-2H]- 391.06467 167.0
[M]+ 370.08945 180.5
[M]- 370.09055 180.5
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