CID 165941236

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

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1(CC2CC3CC(C2)CC1C3)C(=O)O
InChI
InChI=1S/C13H20O2/c1-13(12(14)15)7-10-3-8-2-9(4-10)6-11(13)5-8/h8-11H,2-7H2,1H3,(H,14,15)
InChIKey
DXPCXLCDOLDYKX-UHFFFAOYSA-N
Compound name
4-methyltricyclo[4.3.1.13,8]undecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 158.3
[M+Na]+ 231.13555 165.2
[M-H]- 207.13905 158.3
[M+NH4]+ 226.18015 180.6
[M+K]+ 247.10949 159.6
[M+H-H2O]+ 191.14359 160.0
[M+HCOO]- 253.14453 164.9
[M+CH3COO]- 267.16018 166.8
[M+Na-2H]- 229.12100 166.4
[M]+ 208.14578 156.3
[M]- 208.14688 156.3
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.