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

2468
Patents

236.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 152.9
[M+Na]+ 259.09408 158.8
[M-H]- 235.09758 155.8
[M+NH4]+ 254.13868 170.3
[M+K]+ 275.06802 157.3
[M+H-H2O]+ 219.10212 145.9
[M+HCOO]- 281.10306 176.5
[M+CH3COO]- 295.11871 189.9
[M+Na-2H]- 257.07953 157.7
[M]+ 236.10431 157.9
[M]- 236.10541 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