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]+ 141.090996 119.8
[M+Na]+ 163.072938 124.9
[M-H]- 139.076444 126.8
[M+NH4]+ 158.117543 135.3
[M+K]+ 179.046878 128.3
[M+H-H2O]+ 123.080980 110.5
[M+HCOO]- 185.081921 140.7
[M+CH3COO]- 199.097571 175.2
[M+Na-2H]- 161.058386 124.9
[M]+ 140.08317142 126.3
[M]- 140.08426858 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.