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]+ 188.081826 148.1
[M+Na]+ 210.063768 156.2
[M-H]- 186.067274 150.3
[M+NH4]+ 205.108373 164.4
[M+K]+ 226.037708 153.0
[M+H-H2O]+ 170.071810 135.2
[M+HCOO]- 232.072751 167.7
[M+CH3COO]- 246.088401 198.4
[M+Na-2H]- 208.049216 150.0
[M]+ 187.07400142 138.9
[M]- 187.07509858 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.