CID 58423493

Methyl 1-amino-4-bromo-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
COC(=O)C1=CC(=CN1N)Br
InChI
InChI=1S/C6H7BrN2O2/c1-11-6(10)5-2-4(7)3-9(5)8/h2-3H,8H2,1H3
InChIKey
ACXDDRPCBGQPBV-UHFFFAOYSA-N
Compound name
methyl 1-amino-4-bromopyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

217.96909 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.97637 137.1
[M+Na]+ 240.95831 149.7
[M-H]- 216.96181 142.3
[M+NH4]+ 236.00291 159.3
[M+K]+ 256.93225 139.6
[M+H-H2O]+ 200.96635 136.3
[M+HCOO]- 262.96729 159.5
[M+CH3COO]- 276.98294 185.2
[M+Na-2H]- 238.94376 142.2
[M]+ 217.96854 155.9
[M]- 217.96964 155.9
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