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]+ 129.090996 123.3
[M+Na]+ 151.072938 129.3
[M-H]- 127.076444 127.8
[M+NH4]+ 146.117543 139.6
[M+K]+ 167.046878 133.7
[M+H-H2O]+ 111.080980 115.0
[M+HCOO]- 173.081921 144.0
[M+CH3COO]- 187.097571 175.2
[M+Na-2H]- 149.058386 130.8
[M]+ 128.08317142 133.1
[M]- 128.08426858 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

patents stripe