CID 68076891

2-(3-oxocyclobutyl)acetic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1C(CC1=O)CC(=O)O
InChI
InChI=1S/C6H8O3/c7-5-1-4(2-5)3-6(8)9/h4H,1-3H2,(H,8,9)
InChIKey
KFBADNJELGIOTE-UHFFFAOYSA-N
Compound name
2-(3-oxocyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

128.04735 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 125.9
[M+Na]+ 151.03657 131.2
[M+NH4]+ 146.08117 129.2
[M+K]+ 167.01051 129.3
[M-H]- 127.04007 122.7
[M+Na-2H]- 149.02202 126.9
[M]+ 128.04680 124.2
[M]- 128.04790 124.2
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