CID 3996590

N-(3-amino-4-chlorophenyl)propanamide

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CCC(=O)NC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C9H11ClN2O/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13)
InChIKey
XTYFFONNCYYVOA-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.05598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 141.7
[M+Na]+ 221.04520 150.2
[M-H]- 197.04870 145.3
[M+NH4]+ 216.08980 161.5
[M+K]+ 237.01914 146.2
[M+H-H2O]+ 181.05324 136.7
[M+HCOO]- 243.05418 162.6
[M+CH3COO]- 257.06983 187.9
[M+Na-2H]- 219.03065 146.2
[M]+ 198.05543 142.0
[M]- 198.05653 142.0
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