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 148.1
[M+Na]+ 210.06377 156.2
[M-H]- 186.06727 150.3
[M+NH4]+ 205.10837 164.4
[M+K]+ 226.03771 153.0
[M+H-H2O]+ 170.07181 135.2
[M+HCOO]- 232.07275 167.7
[M+CH3COO]- 246.08840 198.4
[M+Na-2H]- 208.04922 150.0
[M]+ 187.07400 138.9
[M]- 187.07510 138.9
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

No patent data available for this compound.