CID 22033841

N-(3-aminophenyl)acrylamide

Structural Information

Molecular Formula
C9H10N2O
SMILES
C=CC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C9H10N2O/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1,10H2,(H,11,12)
InChIKey
RRKWPXMDCPJEHS-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

162.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 133.6
[M+Na]+ 185.06854 140.6
[M-H]- 161.07204 137.1
[M+NH4]+ 180.11314 153.5
[M+K]+ 201.04248 138.1
[M+H-H2O]+ 145.07658 127.5
[M+HCOO]- 207.07752 159.2
[M+CH3COO]- 221.09317 182.0
[M+Na-2H]- 183.05399 139.4
[M]+ 162.07877 130.7
[M]- 162.07987 130.7
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