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

39
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 125.1
[M+Na]+ 167.067858 130.1
[M-H]- 143.071364 129.1
[M+NH4]+ 162.112463 138.7
[M+K]+ 183.041798 134.9
[M+H-H2O]+ 127.075900 115.1
[M+HCOO]- 189.076841 146.0
[M+CH3COO]- 203.092491 176.9
[M+Na-2H]- 165.053306 131.5
[M]+ 144.07809142 135.9
[M]- 144.07918858 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