CID 5148052

Perhydrocyclobuta(1,2:3,4)dicyclopentene-2,5-dicarboxylic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
C1C(CC2C1C3C2CC(C3)C(=O)O)C(=O)O
InChI
InChI=1S/C12H16O4/c13-11(14)5-1-7-8(2-5)10-4-6(12(15)16)3-9(7)10/h5-10H,1-4H2,(H,13,14)(H,15,16)
InChIKey
YPVLXAFYVLIXFS-UHFFFAOYSA-N
Compound name
tricyclo[5.3.0.02,6]decane-4,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.1
[M+Na]+ 247.09408 153.2
[M-H]- 223.09758 151.6
[M+NH4]+ 242.13868 164.7
[M+K]+ 263.06802 153.7
[M+H-H2O]+ 207.10212 141.2
[M+HCOO]- 269.10306 163.4
[M+CH3COO]- 283.11871 189.2
[M+Na-2H]- 245.07953 147.2
[M]+ 224.10431 154.9
[M]- 224.10541 154.9
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