CID 366347

Nsc634707

Structural Information

Molecular Formula
C14H14O10
SMILES
CC12C(C(=O)C(C1(C(C(=O)C2C(=O)O)C(=O)O)C)C(=O)O)C(=O)O
InChI
InChI=1S/C14H14O10/c1-13-3(9(17)18)7(15)5(11(21)22)14(13,2)6(12(23)24)8(16)4(13)10(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
HQLVTDAUNIWCDA-UHFFFAOYSA-N
Compound name
3a,6a-dimethyl-2,5-dioxo-1,3,4,6-tetrahydropentalene-1,3,4,6-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06598 162.3
[M+Na]+ 365.04792 170.0
[M-H]- 341.05142 162.1
[M+NH4]+ 360.09252 181.1
[M+K]+ 381.02186 169.2
[M+H-H2O]+ 325.05596 163.2
[M+HCOO]- 387.05690 174.6
[M+CH3COO]- 401.07255 204.3
[M+Na-2H]- 363.03337 160.0
[M]+ 342.05815 164.1
[M]- 342.05925 164.1
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.