CID 21945923
4-ethyl-1h-pyrrole-3-carboxylic acid
Structural Information
- Molecular Formula
- C7H9NO2
- SMILES
- CCC1=CNC=C1C(=O)O
- InChI
- InChI=1S/C7H9NO2/c1-2-5-3-8-4-6(5)7(9)10/h3-4,8H,2H2,1H3,(H,9,10)
- InChIKey
- JCWLQJLPCFWKMW-UHFFFAOYSA-N
- Compound name
- 4-ethyl-1H-pyrrole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 140.07060 | 127.8 |
[M+Na]+ | 162.05254 | 136.0 |
[M-H]- | 138.05604 | 127.8 |
[M+NH4]+ | 157.09714 | 148.7 |
[M+K]+ | 178.02648 | 133.9 |
[M+H-H2O]+ | 122.06058 | 122.5 |
[M+HCOO]- | 184.06152 | 149.1 |
[M+CH3COO]- | 198.07717 | 167.8 |
[M+Na-2H]- | 160.03799 | 131.8 |
[M]+ | 139.06277 | 126.3 |
[M]- | 139.06387 | 126.3 |
Literature stripe
No literature data available for this compound.