CID 479474

Ethyl 4-(pyridin-4-yl)-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCOC(=O)C1=CNC=C1C2=CC=NC=C2
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14-7-10(11)9-3-5-13-6-4-9/h3-8,14H,2H2,1H3
InChIKey
JPDVHPANJIDEHD-UHFFFAOYSA-N
Compound name
ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

216.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.2
[M+Na]+ 239.07909 155.0
[M-H]- 215.08259 150.1
[M+NH4]+ 234.12369 163.9
[M+K]+ 255.05303 151.6
[M+H-H2O]+ 199.08713 139.1
[M+HCOO]- 261.08807 168.5
[M+CH3COO]- 275.10372 183.2
[M+Na-2H]- 237.06454 151.4
[M]+ 216.08932 147.3
[M]- 216.09042 147.3
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.