CID 165971425

3-oxo-1-(oxolan-2-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
C1CC(OC1)C2(CC(=O)C2)C(=O)O
InChI
InChI=1S/C9H12O4/c10-6-4-9(5-6,8(11)12)7-2-1-3-13-7/h7H,1-5H2,(H,11,12)
InChIKey
PFRGRUSVZUAMLU-UHFFFAOYSA-N
Compound name
3-oxo-1-(oxolan-2-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 133.1
[M+Na]+ 207.06278 137.7
[M-H]- 183.06628 138.9
[M+NH4]+ 202.10738 147.7
[M+K]+ 223.03672 140.8
[M+H-H2O]+ 167.07082 124.5
[M+HCOO]- 229.07176 151.5
[M+CH3COO]- 243.08741 179.3
[M+Na-2H]- 205.04823 136.9
[M]+ 184.07301 139.8
[M]- 184.07411 139.8
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

No patent data available for this compound.