CID 347927

Methyl 3-phenoxypropionate

Structural Information

Molecular Formula
C10H12O3
SMILES
COC(=O)CCOC1=CC=CC=C1
InChI
InChI=1S/C10H12O3/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
VOLURMJMDOHTGE-UHFFFAOYSA-N
Compound name
methyl 3-phenoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

180.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.3
[M+Na]+ 203.06786 144.3
[M-H]- 179.07136 140.8
[M+NH4]+ 198.11246 157.2
[M+K]+ 219.04180 143.7
[M+H-H2O]+ 163.07590 131.2
[M+HCOO]- 225.07684 161.5
[M+CH3COO]- 239.09249 179.7
[M+Na-2H]- 201.05331 143.8
[M]+ 180.07809 140.5
[M]- 180.07919 140.5
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