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

16
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.9
[M+Na]+ 165.08860 136.8
[M+NH4]+ 160.13320 135.7
[M+K]+ 181.06254 133.8
[M-H]- 141.09210 129.3
[M+Na-2H]- 163.07405 133.1
[M]+ 142.09883 130.4
[M]- 142.09993 130.4
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