CID 60562

Brn 4998395

Structural Information

Molecular Formula
C12H20O4
SMILES
C=CCC(=O)OCCOCCCCOC=C
InChI
InChI=1S/C12H20O4/c1-3-7-12(13)16-11-10-15-9-6-5-8-14-4-2/h3-4H,1-2,5-11H2
InChIKey
ZOMDAIYEGRFTHN-UHFFFAOYSA-N
Compound name
2-(4-ethenoxybutoxy)ethyl but-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 154.6
[M+Na]+ 251.12537 162.8
[M+NH4]+ 246.16997 159.7
[M+K]+ 267.09931 157.1
[M-H]- 227.12887 151.9
[M+Na-2H]- 249.11082 155.6
[M]+ 228.13560 154.5
[M]- 228.13670 154.5
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.