CID 11829484

28823-16-7

Structural Information

Molecular Formula
C8H7NO
SMILES
C1=CC=NC(=C1)/C=C/C=O
InChI
InChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-7H/b5-3+
InChIKey
ZVEJSCDZTXEUBM-HWKANZROSA-N
Compound name
(E)-3-pyridin-2-ylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

133.05276 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 124.3
[M+Na]+ 156.04198 132.9
[M-H]- 132.04548 126.6
[M+NH4]+ 151.08658 144.9
[M+K]+ 172.01592 130.5
[M+H-H2O]+ 116.05002 118.1
[M+HCOO]- 178.05096 148.6
[M+CH3COO]- 192.06661 170.5
[M+Na-2H]- 154.02743 133.3
[M]+ 133.05221 124.3
[M]- 133.05331 124.3
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

patents stripe