CID 366344

Nsc634704

Structural Information

Molecular Formula
C17H20O10
SMILES
CC12C(C(C(=O)C1C(=O)OC)C(=O)OC)C(C(=O)C2C(=O)OC)C(=O)OC
InChI
InChI=1S/C17H20O10/c1-17-8(6(13(20)24-2)11(18)9(17)15(22)26-4)7(14(21)25-3)12(19)10(17)16(23)27-5/h6-10H,1-5H3
InChIKey
VTOQDWGGGHUTJQ-UHFFFAOYSA-N
Compound name
tetramethyl 6a-methyl-2,5-dioxo-3,3a,4,6-tetrahydro-1H-pentalene-1,3,4,6-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.10565 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11293 173.8
[M+Na]+ 407.09487 181.3
[M-H]- 383.09837 178.6
[M+NH4]+ 402.13947 192.2
[M+K]+ 423.06881 182.7
[M+H-H2O]+ 367.10291 172.3
[M+HCOO]- 429.10385 191.4
[M+CH3COO]- 443.11950 218.7
[M+Na-2H]- 405.08032 170.1
[M]+ 384.10510 183.0
[M]- 384.10620 183.0
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.