CID 47802

3-cycloheptyl-cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCCC(CC1)C2CC(C2)C(=O)O
InChI
InChI=1S/C12H20O2/c13-12(14)11-7-10(8-11)9-5-3-1-2-4-6-9/h9-11H,1-8H2,(H,13,14)
InChIKey
YYUXOFUWSOGMGC-UHFFFAOYSA-N
Compound name
3-cycloheptylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 141.2
[M+Na]+ 219.13555 141.6
[M-H]- 195.13905 146.2
[M+NH4]+ 214.18015 152.0
[M+K]+ 235.10949 145.9
[M+H-H2O]+ 179.14359 132.3
[M+HCOO]- 241.14453 156.4
[M+CH3COO]- 255.16018 187.2
[M+Na-2H]- 217.12100 142.1
[M]+ 196.14578 140.6
[M]- 196.14688 140.6
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.