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 123.7
[M+Na]+ 151.03657 128.6
[M-H]- 127.04007 125.9
[M+NH4]+ 146.08117 138.1
[M+K]+ 167.01051 131.6
[M+H-H2O]+ 111.04461 113.9
[M+HCOO]- 173.04555 143.3
[M+CH3COO]- 187.06120 172.1
[M+Na-2H]- 149.02202 127.5
[M]+ 128.04680 130.4
[M]- 128.04790 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

No literature data available for this compound.

Patent stripe

patents stripe