CID 22060559

2-(3-aminophenoxy)-n-methylacetamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CNC(=O)COC1=CC=CC(=C1)N
InChI
InChI=1S/C9H12N2O2/c1-11-9(12)6-13-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
KZKIDTIYOGQEBN-UHFFFAOYSA-N
Compound name
2-(3-aminophenoxy)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

180.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.7
[M+Na]+ 203.079088 144.4
[M-H]- 179.082594 141.1
[M+NH4]+ 198.123693 156.9
[M+K]+ 219.053028 142.9
[M+H-H2O]+ 163.087130 131.3
[M+HCOO]- 225.088071 163.4
[M+CH3COO]- 239.103721 185.0
[M+Na-2H]- 201.064536 143.5
[M]+ 180.08932142 136.9
[M]- 180.09041858 136.9
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