CID 574763

Tricyclo[5.2.1.0,2,6]decane-2-carboxylic acid

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CC2C3CCC(C3)C2(C1)C(=O)O
InChI
InChI=1S/C11H16O2/c12-10(13)11-5-1-2-9(11)7-3-4-8(11)6-7/h7-9H,1-6H2,(H,12,13)
InChIKey
BPPVMMLQNBPNBD-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

180.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 146.0
[M+Na]+ 203.10426 152.6
[M-H]- 179.10776 148.3
[M+NH4]+ 198.14886 174.7
[M+K]+ 219.07820 149.6
[M+H-H2O]+ 163.11230 143.1
[M+HCOO]- 225.11324 163.6
[M+CH3COO]- 239.12889 158.5
[M+Na-2H]- 201.08971 147.1
[M]+ 180.11449 142.9
[M]- 180.11559 142.9
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