CID 281789

Alpha-cyano-3-nitrocinnamamide

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)N
InChI
InChI=1S/C10H7N3O3/c11-6-8(10(12)14)4-7-2-1-3-9(5-7)13(15)16/h1-5H,(H2,12,14)
InChIKey
JBPKJWFWZDZHHA-UHFFFAOYSA-N
Compound name
2-cyano-3-(3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05602 154.6
[M+Na]+ 240.03796 162.1
[M-H]- 216.04146 157.0
[M+NH4]+ 235.08256 169.3
[M+K]+ 256.01190 155.8
[M+H-H2O]+ 200.04600 145.6
[M+HCOO]- 262.04694 174.8
[M+CH3COO]- 276.06259 195.0
[M+Na-2H]- 238.02341 157.8
[M]+ 217.04819 145.8
[M]- 217.04929 145.8
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