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]+ 185.080836 133.1
[M+Na]+ 207.062778 137.7
[M-H]- 183.066284 138.9
[M+NH4]+ 202.107383 147.7
[M+K]+ 223.036718 140.8
[M+H-H2O]+ 167.070820 124.5
[M+HCOO]- 229.071761 151.5
[M+CH3COO]- 243.087411 179.3
[M+Na-2H]- 205.048226 136.9
[M]+ 184.07301142 139.8
[M]- 184.07410858 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.