CID 12586753

Ethyl 5-methyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC(=O)C1=CNC(=C1)C
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)9-5-7/h4-5,9H,3H2,1-2H3
InChIKey
KCDURADJPCIWEU-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

153.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.7
[M+Na]+ 176.06820 143.1
[M+NH4]+ 171.11280 140.0
[M+K]+ 192.04214 140.1
[M-H]- 152.07170 132.3
[M+Na-2H]- 174.05365 137.0
[M]+ 153.07843 133.7
[M]- 153.07953 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe