CID 366346

Nsc634706

Structural Information

Molecular Formula
C20H26O10
SMILES
CCCC12C(C(=O)C(C1(C(C(=O)C2C(=O)OC)C(=O)OC)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C20H26O10/c1-7-8-20-11(17(25)29-5)13(21)9(15(23)27-3)19(20,2)10(16(24)28-4)14(22)12(20)18(26)30-6/h9-12H,7-8H2,1-6H3
InChIKey
GBSCXNIVCRCCIB-UHFFFAOYSA-N
Compound name
tetramethyl 3a-methyl-2,5-dioxo-6a-propyl-1,3,4,6-tetrahydropentalene-1,3,4,6-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1526 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.15988 183.8
[M+Na]+ 449.14182 191.0
[M-H]- 425.14532 188.2
[M+NH4]+ 444.18642 202.5
[M+K]+ 465.11576 192.0
[M+H-H2O]+ 409.14986 183.4
[M+HCOO]- 471.15080 200.3
[M+CH3COO]- 485.16645 226.8
[M+Na-2H]- 447.12727 180.8
[M]+ 426.15205 194.5
[M]- 426.15315 194.5
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

No patent data available for this compound.