CID 91636367

4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid

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]+ 213.148526 145.6
[M+Na]+ 235.130468 147.2
[M-H]- 211.133974 149.3
[M+NH4]+ 230.175073 156.5
[M+K]+ 251.104408 149.0
[M+H-H2O]+ 195.138510 134.1
[M+HCOO]- 257.139451 161.4
[M+CH3COO]- 271.155101 187.6
[M+Na-2H]- 233.115916 146.7
[M]+ 212.14070142 149.5
[M]- 212.14179858 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.