CID 6010227

2-(3-nitrocinnamoyl)pyridine

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC=NC(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O3/c17-14(13-6-1-2-9-15-13)8-7-11-4-3-5-12(10-11)16(18)19/h1-10H/b8-7+
InChIKey
YCHBSERUZJISSM-BQYQJAHWSA-N
Compound name
(E)-3-(3-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 155.5
[M+Na]+ 277.05836 161.7
[M-H]- 253.06186 160.8
[M+NH4]+ 272.10296 169.6
[M+K]+ 293.03230 153.8
[M+H-H2O]+ 237.06640 151.5
[M+HCOO]- 299.06734 179.2
[M+CH3COO]- 313.08299 187.5
[M+Na-2H]- 275.04381 162.8
[M]+ 254.06859 153.5
[M]- 254.06969 153.5
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.