CID 86698951

Ethyl 2-(oxetan-3-ylidene)propanoate

Structural Information

Molecular Formula
C8H12O3
SMILES
CCOC(=O)C(=C1COC1)C
InChI
InChI=1S/C8H12O3/c1-3-11-8(9)6(2)7-4-10-5-7/h3-5H2,1-2H3
InChIKey
VSHJKTMCWDSHFH-UHFFFAOYSA-N
Compound name
ethyl 2-(oxetan-3-ylidene)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.6
[M+Na]+ 179.06786 135.3
[M-H]- 155.07136 134.5
[M+NH4]+ 174.11246 143.7
[M+K]+ 195.04180 139.7
[M+H-H2O]+ 139.07590 120.4
[M+HCOO]- 201.07684 150.3
[M+CH3COO]- 215.09249 179.2
[M+Na-2H]- 177.05331 135.1
[M]+ 156.07809 140.4
[M]- 156.07919 140.4
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