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]+ 209.153606 158.3
[M+Na]+ 231.135548 165.2
[M-H]- 207.139054 158.3
[M+NH4]+ 226.180153 180.6
[M+K]+ 247.109488 159.6
[M+H-H2O]+ 191.143590 160.0
[M+HCOO]- 253.144531 164.9
[M+CH3COO]- 267.160181 166.8
[M+Na-2H]- 229.120996 166.4
[M]+ 208.14578142 156.3
[M]- 208.14687858 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.