CID 5324582

Ethyl 3-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC(=O)C1=C(C=CN1)C
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h4-5,9H,3H2,1-2H3
InChIKey
FGILMAYWLMWCQA-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

153.07898 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe