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]+ 157.085916 130.6
[M+Na]+ 179.067858 135.3
[M-H]- 155.071364 134.5
[M+NH4]+ 174.112463 143.7
[M+K]+ 195.041798 139.7
[M+H-H2O]+ 139.075900 120.4
[M+HCOO]- 201.076841 150.3
[M+CH3COO]- 215.092491 179.2
[M+Na-2H]- 177.053306 135.1
[M]+ 156.07809142 140.4
[M]- 156.07918858 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