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
3
Annotation Hits

1
References

1228
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 137.7
[M+Na]+ 203.07909 145.2
[M-H]- 179.08259 141.5
[M+NH4]+ 198.12369 157.2
[M+K]+ 219.05303 143.9
[M+H-H2O]+ 163.08713 131.5
[M+HCOO]- 225.08807 163.3
[M+CH3COO]- 239.10372 186.2
[M+Na-2H]- 201.06454 142.7
[M]+ 180.08932 137.3
[M]- 180.09042 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

literature stripe

Patent stripe

patents stripe