CID 21536209

2-(3-hydroxyphenoxy)-n-methylacetamide

Structural Information

Molecular Formula
C9H11NO3
SMILES
CNC(=O)COC1=CC=CC(=C1)O
InChI
InChI=1S/C9H11NO3/c1-10-9(12)6-13-8-4-2-3-7(11)5-8/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey
YYLMJPXVQQEDOZ-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenoxy)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.8
[M+Na]+ 204.06312 143.8
[M-H]- 180.06662 139.3
[M+NH4]+ 199.10772 155.8
[M+K]+ 220.03706 142.4
[M+H-H2O]+ 164.07116 130.8
[M+HCOO]- 226.07210 160.8
[M+CH3COO]- 240.08775 180.1
[M+Na-2H]- 202.04857 142.8
[M]+ 181.07335 137.3
[M]- 181.07445 137.3
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

No patent data available for this compound.