CID 47803

3-ethyl-3-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(CC(C1)C(=O)O)C
InChI
InChI=1S/C8H14O2/c1-3-8(2)4-6(5-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
PBLPMCDIRWMEMC-UHFFFAOYSA-N
Compound name
3-ethyl-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.0
[M+Na]+ 165.088598 137.1
[M-H]- 141.092104 133.7
[M+NH4]+ 160.133203 147.6
[M+K]+ 181.062538 139.2
[M+H-H2O]+ 125.096640 122.9
[M+HCOO]- 187.097581 150.6
[M+CH3COO]- 201.113231 176.7
[M+Na-2H]- 163.074046 135.5
[M]+ 142.09883142 139.1
[M]- 142.09992858 139.1
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

patents stripe