CID 13596074

3-(4-aminophenyl)propanamide

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1=CC(=CC=C1CCC(=O)N)N
InChI
InChI=1S/C9H12N2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H2,11,12)
InChIKey
WICPORLNXBPBPR-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

164.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 135.1
[M+Na]+ 187.084178 141.7
[M-H]- 163.087684 137.9
[M+NH4]+ 182.128783 154.6
[M+K]+ 203.058118 139.4
[M+H-H2O]+ 147.092220 128.9
[M+HCOO]- 209.093161 159.8
[M+CH3COO]- 223.108811 182.9
[M+Na-2H]- 185.069626 139.7
[M]+ 164.09441142 131.9
[M]- 164.09550858 131.9
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