CID 47002130

4-bromo-1-ethyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
CCN1C=C(C=C1C(=O)O)Br
InChI
InChI=1S/C7H8BrNO2/c1-2-9-4-5(8)3-6(9)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKey
UXFLIFGDKJYOSY-UHFFFAOYSA-N
Compound name
4-bromo-1-ethylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.97385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 142.2
[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

patents stripe