CID 343748

Ethyl 4-bromo-3-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
CCOC(=O)C1=C(C(=CN1)Br)C
InChI
InChI=1S/C8H10BrNO2/c1-3-12-8(11)7-5(2)6(9)4-10-7/h4,10H,3H2,1-2H3
InChIKey
GKSXYQPYJABCHK-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.98949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.996766 142.9
[M+Na]+ 253.978708 155.3
[M-H]- 229.982214 147.2
[M+NH4]+ 249.023313 164.7
[M+K]+ 269.952648 144.6
[M+H-H2O]+ 213.986750 143.0
[M+HCOO]- 275.987691 163.0
[M+CH3COO]- 290.003341 184.4
[M+Na-2H]- 251.964156 147.3
[M]+ 230.98894142 162.4
[M]- 230.99003858 162.4
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

patents stripe