CID 11137720

N-(3-aminophenyl)-2-methoxyacetamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COCC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
QICBWWXNGYJZAX-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.7
[M+Na]+ 203.07909 144.4
[M-H]- 179.08259 141.1
[M+NH4]+ 198.12369 156.9
[M+K]+ 219.05303 142.9
[M+H-H2O]+ 163.08713 131.3
[M+HCOO]- 225.08807 163.4
[M+CH3COO]- 239.10372 185.0
[M+Na-2H]- 201.06454 143.5
[M]+ 180.08932 136.9
[M]- 180.09042 136.9
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

patents stripe