CID 7604

N-(3-aminophenyl)acetamide

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
InChIKey
PEMGGJDINLGTON-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

3389
Patents

150.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.2
[M+Na]+ 173.06854 137.4
[M-H]- 149.07204 133.8
[M+NH4]+ 168.11314 150.8
[M+K]+ 189.04248 135.7
[M+H-H2O]+ 133.07658 124.3
[M+HCOO]- 195.07752 156.0
[M+CH3COO]- 209.09317 179.8
[M+Na-2H]- 171.05399 136.5
[M]+ 150.07877 127.6
[M]- 150.07987 127.6
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