CID 91636367

1601147-11-8

Structural Information

Molecular Formula
C12H20O3
SMILES
C1CC(C1)COC2CCC(CC2)C(=O)O
InChI
InChI=1S/C12H20O3/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h9-11H,1-8H2,(H,13,14)
InChIKey
PGWLCFZUEVFJMX-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 150.7
[M+Na]+ 235.13047 154.9
[M+NH4]+ 230.17507 154.3
[M+K]+ 251.10441 151.8
[M-H]- 211.13397 149.7
[M+Na-2H]- 233.11592 151.7
[M]+ 212.14070 149.5
[M]- 212.14180 149.5
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.