CID 79746

2-(3,4-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C10H13NO3
SMILES
COC1=C(C=C(C=C1)CC(=O)N)OC
InChI
InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKey
CUWOZWFDSYIYHL-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

313
Patents

195.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 140.8
[M+Na]+ 218.078758 148.6
[M-H]- 194.082264 144.4
[M+NH4]+ 213.123363 160.0
[M+K]+ 234.052698 147.6
[M+H-H2O]+ 178.086800 134.6
[M+HCOO]- 240.087741 165.3
[M+CH3COO]- 254.103391 187.0
[M+Na-2H]- 216.064206 145.0
[M]+ 195.08899142 143.1
[M]- 195.09008858 143.1
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