CID 16772726

2-[3-(aminomethyl)phenoxy]acetamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC(=CC(=C1)OCC(=O)N)CN
InChI
InChI=1S/C9H12N2O2/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKey
UQTQQXUINDFQCE-UHFFFAOYSA-N
Compound name
2-[3-(aminomethyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.9
[M+Na]+ 203.07909 144.4
[M-H]- 179.08259 140.7
[M+NH4]+ 198.12369 156.7
[M+K]+ 219.05303 142.6
[M+H-H2O]+ 163.08713 131.4
[M+HCOO]- 225.08807 162.9
[M+CH3COO]- 239.10372 185.1
[M+Na-2H]- 201.06454 142.5
[M]+ 180.08932 136.1
[M]- 180.09042 136.1
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.