CID 54022551

4-cyclobutylbutanoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC(C1)CCCC(=O)O
InChI
InChI=1S/C8H14O2/c9-8(10)6-2-5-7-3-1-4-7/h7H,1-6H2,(H,9,10)
InChIKey
KZXYADVJHCGXIN-UHFFFAOYSA-N
Compound name
4-cyclobutylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.4
[M+Na]+ 165.088598 134.6
[M-H]- 141.092104 132.1
[M+NH4]+ 160.133203 144.5
[M+K]+ 181.062538 136.7
[M+H-H2O]+ 125.096640 120.4
[M+HCOO]- 187.097581 150.0
[M+CH3COO]- 201.113231 176.0
[M+Na-2H]- 163.074046 134.4
[M]+ 142.09883142 137.7
[M]- 142.09992858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe