CID 21188140

2-cyclobutyl-2-oxoacetic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1CC(C1)C(=O)C(=O)O
InChI
InChI=1S/C6H8O3/c7-5(6(8)9)4-2-1-3-4/h4H,1-3H2,(H,8,9)
InChIKey
VTIQFAXBEUIRDI-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

128.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 127.2
[M+Na]+ 151.03657 131.7
[M+NH4]+ 146.08117 130.3
[M+K]+ 167.01051 130.3
[M-H]- 127.04007 123.6
[M+Na-2H]- 149.02202 127.9
[M]+ 128.04680 125.2
[M]- 128.04790 125.2
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