CID 2307368

3-(4-aminophenyl)-2-cyanoprop-2-enamide

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)N
InChI
InChI=1S/C10H9N3O/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5H,12H2,(H2,13,14)/b8-5+
InChIKey
LPHVGESWHAXWFR-VMPITWQZSA-N
Compound name
(E)-3-(4-aminophenyl)-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07455 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 146.6
[M+Na]+ 210.06377 155.7
[M+NH4]+ 205.10837 150.0
[M+K]+ 226.03771 147.8
[M-H]- 186.06727 141.0
[M+Na-2H]- 208.04922 148.7
[M]+ 187.07400 145.1
[M]- 187.07510 145.1
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

No patent data available for this compound.