CID 74889211

Methyl 2-ethyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCC1=C(C=CN1)C(=O)OC
InChI
InChI=1S/C8H11NO2/c1-3-7-6(4-5-9-7)8(10)11-2/h4-5,9H,3H2,1-2H3
InChIKey
FWZOVQKKSCXOHE-UHFFFAOYSA-N
Compound name
methyl 2-ethyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.8
[M+Na]+ 176.068198 140.2
[M-H]- 152.071704 133.1
[M+NH4]+ 171.112803 152.9
[M+K]+ 192.042138 138.7
[M+H-H2O]+ 136.076240 126.1
[M+HCOO]- 198.077181 154.3
[M+CH3COO]- 212.092831 172.8
[M+Na-2H]- 174.053646 135.8
[M]+ 153.07843142 132.5
[M]- 153.07952858 132.5
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.