CID 9834457

Schembl7700820

Structural Information

Molecular Formula
C12H16O4
SMILES
C1CC(C2C1C3CC2CC3C(=O)O)C(=O)O
InChI
InChI=1S/C12H16O4/c13-11(14)7-2-1-6-8-3-5(10(6)7)4-9(8)12(15)16/h5-10H,1-4H2,(H,13,14)(H,15,16)
InChIKey
NZSWAQKTODNQCK-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-3,8-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 153.9
[M+Na]+ 247.094078 159.9
[M-H]- 223.097584 155.2
[M+NH4]+ 242.138683 178.4
[M+K]+ 263.068018 157.3
[M+H-H2O]+ 207.102120 151.8
[M+HCOO]- 269.103061 169.2
[M+CH3COO]- 283.118711 186.1
[M+Na-2H]- 245.079526 151.4
[M]+ 224.10431142 151.5
[M]- 224.10540858 151.5
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

patents stripe