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]+ 154.08626 131.8
[M+Na]+ 176.06820 140.2
[M-H]- 152.07170 133.1
[M+NH4]+ 171.11280 152.9
[M+K]+ 192.04214 138.7
[M+H-H2O]+ 136.07624 126.1
[M+HCOO]- 198.07718 154.3
[M+CH3COO]- 212.09283 172.8
[M+Na-2H]- 174.05365 135.8
[M]+ 153.07843 132.5
[M]- 153.07953 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.