CID 16773871

2-[4-(aminomethyl)-2-methoxyphenoxy]acetamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O3
SMILES
COC1=C(C=CC(=C1)CN)OCC(=O)N
InChI
InChI=1S/C10H14N2O3/c1-14-9-4-7(5-11)2-3-8(9)15-6-10(12)13/h2-4H,5-6,11H2,1H3,(H2,12,13)
InChIKey
OEIIMKREKVDEAO-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)-2-methoxyphenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 145.2
[M+Na]+ 233.08967 152.1
[M-H]- 209.09317 148.1
[M+NH4]+ 228.13427 163.0
[M+K]+ 249.06361 150.7
[M+H-H2O]+ 193.09771 138.4
[M+HCOO]- 255.09865 170.0
[M+CH3COO]- 269.11430 191.5
[M+Na-2H]- 231.07512 148.6
[M]+ 210.09990 145.6
[M]- 210.10100 145.6
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.