CID 16365

Methyl 2-phenoxyacetate

Structural Information

Molecular Formula
C9H10O3
SMILES
COC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
BZCKRPHEZOHHBK-UHFFFAOYSA-N
Compound name
methyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

842
Patents

166.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.3
[M+Na]+ 189.05221 145.7
[M+NH4]+ 184.09681 141.5
[M+K]+ 205.02615 139.8
[M-H]- 165.05571 134.8
[M+Na-2H]- 187.03766 140.3
[M]+ 166.06244 135.4
[M]- 166.06354 135.4
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