CID 15621599

Tricyclo[4.3.1.1,3,8]undecane-4-carboxylic acid

Structural Information

Molecular Formula
C12H18O2
SMILES
C1C2CC3CC1CC(C2)C(C3)C(=O)O
InChI
InChI=1S/C12H18O2/c13-12(14)11-6-9-2-7-1-8(3-9)5-10(11)4-7/h7-11H,1-6H2,(H,13,14)
InChIKey
HYCROSWBIRKCKY-UHFFFAOYSA-N
Compound name
tricyclo[4.3.1.13,8]undecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 152.1
[M+Na]+ 217.119898 158.4
[M-H]- 193.123404 152.2
[M+NH4]+ 212.164503 173.5
[M+K]+ 233.093838 154.2
[M+H-H2O]+ 177.127940 154.8
[M+HCOO]- 239.128881 159.3
[M+CH3COO]- 253.144531 160.9
[M+Na-2H]- 215.105346 160.3
[M]+ 194.13013142 149.9
[M]- 194.13122858 149.9
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

No patent data available for this compound.