CID 178200105

Ethyl 4-formyl-1,3-dimethyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C10H13NO3
SMILES
CCOC(=O)C1=C(C(=CN1C)C=O)C
InChI
InChI=1S/C10H13NO3/c1-4-14-10(13)9-7(2)8(6-12)5-11(9)3/h5-6H,4H2,1-3H3
InChIKey
ZDYXPFBZOSOXMJ-UHFFFAOYSA-N
Compound name
ethyl 4-formyl-1,3-dimethylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 140.0
[M+Na]+ 218.078758 150.0
[M-H]- 194.082264 143.1
[M+NH4]+ 213.123363 160.6
[M+K]+ 234.052698 148.8
[M+H-H2O]+ 178.086800 134.3
[M+HCOO]- 240.087741 163.8
[M+CH3COO]- 254.103391 185.0
[M+Na-2H]- 216.064206 142.3
[M]+ 195.08899142 144.9
[M]- 195.09008858 144.9
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

No patent data available for this compound.