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]+ 225.112136 149.1
[M+Na]+ 247.094078 153.2
[M-H]- 223.097584 151.6
[M+NH4]+ 242.138683 164.7
[M+K]+ 263.068018 153.7
[M+H-H2O]+ 207.102120 141.2
[M+HCOO]- 269.103061 163.4
[M+CH3COO]- 283.118711 189.2
[M+Na-2H]- 245.079526 147.2
[M]+ 224.10431142 154.9
[M]- 224.10540858 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