CID 67478336

1-(3-ethyl-oxetan-3-yl)ethanone

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC1(COC1)C(=O)C
InChI
InChI=1S/C7H12O2/c1-3-7(6(2)8)4-9-5-7/h3-5H2,1-2H3
InChIKey
LKPYLUBVILQTQL-UHFFFAOYSA-N
Compound name
1-(3-ethyloxetan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 123.3
[M+Na]+ 151.07294 129.3
[M-H]- 127.07644 127.8
[M+NH4]+ 146.11754 139.6
[M+K]+ 167.04688 133.7
[M+H-H2O]+ 111.08098 115.0
[M+HCOO]- 173.08192 144.0
[M+CH3COO]- 187.09757 175.2
[M+Na-2H]- 149.05839 130.8
[M]+ 128.08317 133.1
[M]- 128.08427 133.1
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.