CID 4418430

2-propenoic acid, 2-(2-phenoxyethoxy)ethyl ester

Structural Information

Molecular Formula
C13H16O4
SMILES
C=CC(=O)OCCOCCOC1=CC=CC=C1
InChI
InChI=1S/C13H16O4/c1-2-13(14)17-11-9-15-8-10-16-12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChIKey
QFNYOIKHNYCFRG-UHFFFAOYSA-N
Compound name
2-(2-phenoxyethoxy)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2604
Patents

236.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 152.9
[M+Na]+ 259.094078 158.8
[M-H]- 235.097584 155.8
[M+NH4]+ 254.138683 170.3
[M+K]+ 275.068018 157.3
[M+H-H2O]+ 219.102120 145.9
[M+HCOO]- 281.103061 176.5
[M+CH3COO]- 295.118711 189.9
[M+Na-2H]- 257.079526 157.7
[M]+ 236.10431142 157.9
[M]- 236.10540858 157.9
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