CID 3153995

1-pyridin-3-yl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC(=CN=C1)N2C=CC=C2C=O
InChI
InChI=1S/C10H8N2O/c13-8-10-4-2-6-12(10)9-3-1-5-11-7-9/h1-8H
InChIKey
LNJLQAHCCSBMCK-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

40
Patents

172.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 133.7
[M+Na]+ 195.052878 143.2
[M-H]- 171.056384 138.2
[M+NH4]+ 190.097483 153.0
[M+K]+ 211.026818 140.2
[M+H-H2O]+ 155.060920 125.7
[M+HCOO]- 217.061861 158.0
[M+CH3COO]- 231.077511 147.8
[M+Na-2H]- 193.038326 140.6
[M]+ 172.06311142 134.3
[M]- 172.06420858 134.3
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