CID 19031234

3-(2-aminophenyl)propanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1620
Patents

164.09496 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe