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

114
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 133.4
[M+Na]+ 190.04746 141.9
[M-H]- 166.05096 134.7
[M+NH4]+ 185.09206 153.8
[M+K]+ 206.02140 140.3
[M+H-H2O]+ 150.05550 127.6
[M+HCOO]- 212.05644 156.3
[M+CH3COO]- 226.07209 173.9
[M+Na-2H]- 188.03291 137.4
[M]+ 167.05769 134.8
[M]- 167.05879 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