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

125
Patents

167.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.4
[M+Na]+ 190.047458 141.9
[M-H]- 166.050964 134.7
[M+NH4]+ 185.092063 153.8
[M+K]+ 206.021398 140.3
[M+H-H2O]+ 150.055500 127.6
[M+HCOO]- 212.056441 156.3
[M+CH3COO]- 226.072091 173.9
[M+Na-2H]- 188.032906 137.4
[M]+ 167.05769142 134.8
[M]- 167.05878858 134.8
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