CID 6433340

Spy dust

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]+ 204.065516 143.3
[M+Na]+ 226.047458 150.7
[M-H]- 202.050964 147.0
[M+NH4]+ 221.092063 161.7
[M+K]+ 242.021398 143.3
[M+H-H2O]+ 186.055500 141.9
[M+HCOO]- 248.056441 169.3
[M+CH3COO]- 262.072091 177.5
[M+Na-2H]- 224.032906 150.5
[M]+ 203.05769142 142.4
[M]- 203.05878858 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.