CID 18553

3204-78-2

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCC(CC1)C2CC(C2)C(=O)O
InChI
InChI=1S/C11H18O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h8-10H,1-7H2,(H,12,13)
InChIKey
CWCBASCSGVOBLJ-UHFFFAOYSA-N
Compound name
3-cyclohexylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 138.6
[M+Na]+ 205.11990 140.9
[M-H]- 181.12340 142.6
[M+NH4]+ 200.16450 150.8
[M+K]+ 221.09384 142.3
[M+H-H2O]+ 165.12794 127.6
[M+HCOO]- 227.12888 154.6
[M+CH3COO]- 241.14453 182.6
[M+Na-2H]- 203.10535 140.2
[M]+ 182.13013 140.8
[M]- 182.13123 140.8
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.