CID 31954

2-phenoxyethyl propionate

Structural Information

Molecular Formula
C11H14O3
SMILES
CCC(=O)OCCOC1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
FKTSMIXZGPUSJB-UHFFFAOYSA-N
Compound name
2-phenoxyethyl propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

874
Patents

194.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.1
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 145.4
[M+NH4]+ 212.12812 161.4
[M+K]+ 233.05746 147.7
[M+H-H2O]+ 177.09156 135.8
[M+HCOO]- 239.09250 165.9
[M+CH3COO]- 253.10815 182.7
[M+Na-2H]- 215.06897 148.0
[M]+ 194.09375 145.6
[M]- 194.09485 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe