CID 6434843

3-allyloxyallyl acetate

Structural Information

Molecular Formula
C8H12O3
SMILES
CC(=O)OC/C=C/OCC=C
InChI
InChI=1S/C8H12O3/c1-3-5-10-6-4-7-11-8(2)9/h3-4,6H,1,5,7H2,2H3/b6-4+
InChIKey
BDUHVPAGYVHMRZ-GQCTYLIASA-N
Compound name
[(E)-3-prop-2-enoxyprop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.7
[M+Na]+ 179.06786 140.0
[M-H]- 155.07136 132.9
[M+NH4]+ 174.11246 153.9
[M+K]+ 195.04180 139.3
[M+H-H2O]+ 139.07590 128.0
[M+HCOO]- 201.07684 156.3
[M+CH3COO]- 215.09249 175.9
[M+Na-2H]- 177.05331 137.7
[M]+ 156.07809 136.3
[M]- 156.07919 136.3
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

No patent data available for this compound.