CID 33778335

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

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
CC1=C(NC=C1Br)C(=O)OC
InChI
InChI=1S/C7H8BrNO2/c1-4-5(8)3-9-6(4)7(10)11-2/h3,9H,1-2H3
InChIKey
GZBZIQHPQZDXHK-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.97385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 142.3
[M+Na]+ 239.96307 143.9
[M+NH4]+ 235.00767 145.9
[M+K]+ 255.93701 146.6
[M-H]- 215.96657 140.6
[M+Na-2H]- 237.94852 143.2
[M]+ 216.97330 140.6
[M]- 216.97440 140.6
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.