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

1
Patents

230.98949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99677 142.9
[M+Na]+ 253.97871 155.3
[M-H]- 229.98221 147.2
[M+NH4]+ 249.02331 164.7
[M+K]+ 269.95265 144.6
[M+H-H2O]+ 213.98675 143.0
[M+HCOO]- 275.98769 163.0
[M+CH3COO]- 290.00334 184.4
[M+Na-2H]- 251.96416 147.3
[M]+ 230.98894 162.4
[M]- 230.99004 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