CID 53534938
4-bromo-1-(propan-2-yl)-1h-pyrrole-2-carboxylic acid
Structural Information
- Molecular Formula
- C8H10BrNO2
- SMILES
- CC(C)N1C=C(C=C1C(=O)O)Br
- InChI
- InChI=1S/C8H10BrNO2/c1-5(2)10-4-6(9)3-7(10)8(11)12/h3-5H,1-2H3,(H,11,12)
- InChIKey
- CULTUKQABHCDGT-UHFFFAOYSA-N
- Compound name
- 4-bromo-1-propan-2-ylpyrrole-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.99677 | 143.1 |
[M+Na]+ | 253.97871 | 155.2 |
[M-H]- | 229.98221 | 147.4 |
[M+NH4]+ | 249.02331 | 164.8 |
[M+K]+ | 269.95265 | 144.8 |
[M+H-H2O]+ | 213.98675 | 143.2 |
[M+HCOO]- | 275.98769 | 162.2 |
[M+CH3COO]- | 290.00334 | 185.9 |
[M+Na-2H]- | 251.96416 | 146.3 |
[M]+ | 230.98894 | 162.0 |
[M]- | 230.99004 | 162.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.