CID 6433340

Ccris 53

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC(=CC=C1/C=C\C=C\C=O)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO3/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h1-9H/b3-1+,4-2-
InChIKey
BKLWQDSDJBFRDF-TZFCGSKZSA-N
Compound name
(2E,4Z)-5-(4-nitrophenyl)penta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

0
Patents

203.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 143.3
[M+Na]+ 226.04746 150.7
[M-H]- 202.05096 147.0
[M+NH4]+ 221.09206 161.7
[M+K]+ 242.02140 143.3
[M+H-H2O]+ 186.05550 141.9
[M+HCOO]- 248.05644 169.3
[M+CH3COO]- 262.07209 177.5
[M+Na-2H]- 224.03291 150.5
[M]+ 203.05769 142.4
[M]- 203.05879 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.