CID 170914681

3-(oxolan-3-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1COCC1C2CC(=O)C2
InChI
InChI=1S/C8H12O2/c9-8-3-7(4-8)6-1-2-10-5-6/h6-7H,1-5H2
InChIKey
DVEASDCZOHCRHG-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 119.8
[M+Na]+ 163.07294 124.9
[M-H]- 139.07644 126.8
[M+NH4]+ 158.11754 135.3
[M+K]+ 179.04688 128.3
[M+H-H2O]+ 123.08098 110.5
[M+HCOO]- 185.08192 140.7
[M+CH3COO]- 199.09757 175.2
[M+Na-2H]- 161.05839 124.9
[M]+ 140.08317 126.3
[M]- 140.08427 126.3
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.