CID 44629867

4-azidocinnamaldehyde

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC(=CC=C1C=CC=O)N=[N+]=[N-]
InChI
InChI=1S/C9H7N3O/c10-12-11-9-5-3-8(4-6-9)2-1-7-13/h1-7H
InChIKey
MFGPIUGUWLAIGM-UHFFFAOYSA-N
Compound name
3-(4-azidophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

173.05891 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 133.6
[M+Na]+ 196.04813 141.2
[M-H]- 172.05163 140.1
[M+NH4]+ 191.09273 154.0
[M+K]+ 212.02207 134.4
[M+H-H2O]+ 156.05617 131.4
[M+HCOO]- 218.05711 165.6
[M+CH3COO]- 232.07276 181.9
[M+Na-2H]- 194.03358 144.4
[M]+ 173.05836 131.9
[M]- 173.05946 131.9
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

patents stripe