CID 321485

Ethyl 5-formyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CCOC(=O)C1=CC=C(N1)C=O
InChI
InChI=1S/C8H9NO3/c1-2-12-8(11)7-4-3-6(5-10)9-7/h3-5,9H,2H2,1H3
InChIKey
HTPFMOGFQKDFHX-UHFFFAOYSA-N
Compound name
ethyl 5-formyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

167.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 135.2
[M+Na]+ 190.04746 145.2
[M+NH4]+ 185.09206 141.6
[M+K]+ 206.02140 142.6
[M-H]- 166.05096 134.1
[M+Na-2H]- 188.03291 138.9
[M]+ 167.05769 135.9
[M]- 167.05879 135.9
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