CID 13403883

Ethyl 2-(oxetan-3-yl)acetate

Structural Information

Molecular Formula
C7H12O3
SMILES
CCOC(=O)CC1COC1
InChI
InChI=1S/C7H12O3/c1-2-10-7(8)3-6-4-9-5-6/h6H,2-5H2,1H3
InChIKey
GCHXUULRRZDDFC-UHFFFAOYSA-N
Compound name
ethyl 2-(oxetan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 125.1
[M+Na]+ 167.06786 130.1
[M-H]- 143.07136 129.1
[M+NH4]+ 162.11246 138.7
[M+K]+ 183.04180 134.9
[M+H-H2O]+ 127.07590 115.1
[M+HCOO]- 189.07684 146.0
[M+CH3COO]- 203.09249 176.9
[M+Na-2H]- 165.05331 131.5
[M]+ 144.07809 135.9
[M]- 144.07919 135.9
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