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

30
Patents

173.05891 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 133.6
[M+Na]+ 196.048128 141.2
[M-H]- 172.051634 140.1
[M+NH4]+ 191.092733 154.0
[M+K]+ 212.022068 134.4
[M+H-H2O]+ 156.056170 131.4
[M+HCOO]- 218.057111 165.6
[M+CH3COO]- 232.072761 181.9
[M+Na-2H]- 194.033576 144.4
[M]+ 173.05836142 131.9
[M]- 173.05945858 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

No patent data available for this compound.