CID 53308471

Ethyl 2-(oxetan-3-ylidene)acetate

Structural Information

Molecular Formula
C7H10O3
SMILES
CCOC(=O)C=C1COC1
InChI
InChI=1S/C7H10O3/c1-2-10-7(8)3-6-4-9-5-6/h3H,2,4-5H2,1H3
InChIKey
CVZGHWOZWYWLBL-UHFFFAOYSA-N
Compound name
ethyl 2-(oxetan-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

142.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 124.0
[M+Na]+ 165.05221 129.4
[M-H]- 141.05571 128.1
[M+NH4]+ 160.09681 137.7
[M+K]+ 181.02615 133.6
[M+H-H2O]+ 125.06025 114.1
[M+HCOO]- 187.06119 145.1
[M+CH3COO]- 201.07684 175.4
[M+Na-2H]- 163.03766 130.4
[M]+ 142.06244 134.1
[M]- 142.06354 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe