CID 10955184

Methyl 2-(4-acetamidophenoxy)acetate

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)OC
InChI
InChI=1S/C11H13NO4/c1-8(13)12-9-3-5-10(6-4-9)16-7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey
DPOLBUJUVCUNQM-UHFFFAOYSA-N
Compound name
methyl 2-(4-acetamidophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

223.08446 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.5
[M+Na]+ 246.07368 154.0
[M-H]- 222.07718 151.2
[M+NH4]+ 241.11828 165.4
[M+K]+ 262.04762 153.6
[M+H-H2O]+ 206.08172 140.8
[M+HCOO]- 268.08266 171.8
[M+CH3COO]- 282.09831 190.2
[M+Na-2H]- 244.05913 151.8
[M]+ 223.08391 150.7
[M]- 223.08501 150.7
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