CID 80779

N-(3-amino-4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N
InChI
InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
SJWQCBCAGCEWCV-UHFFFAOYSA-N
Compound name
N-(3-amino-4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1170
Patents

180.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.2
[M+Na]+ 203.07909 148.8
[M+NH4]+ 198.12369 145.7
[M+K]+ 219.05303 143.9
[M-H]- 179.08259 140.5
[M+Na-2H]- 201.06454 144.0
[M]+ 180.08932 140.1
[M]- 180.09042 140.1
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