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 153.8
[M+Na]+ 251.12537 159.2
[M-H]- 227.12887 153.1
[M+NH4]+ 246.16997 171.8
[M+K]+ 267.09931 157.9
[M+H-H2O]+ 211.13341 147.9
[M+HCOO]- 273.13435 176.2
[M+CH3COO]- 287.15000 190.7
[M+Na-2H]- 249.11082 156.6
[M]+ 228.13560 160.4
[M]- 228.13670 160.4
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

No patent data available for this compound.