CID 18320755
1-propyl-1h-indole-3-carboxylic acid
Structural Information
- Molecular Formula
- C12H13NO2
- SMILES
- CCCN1C=C(C2=CC=CC=C21)C(=O)O
- InChI
- InChI=1S/C12H13NO2/c1-2-7-13-8-10(12(14)15)9-5-3-4-6-11(9)13/h3-6,8H,2,7H2,1H3,(H,14,15)
- InChIKey
- BKSKGOOUSZXLEC-UHFFFAOYSA-N
- Compound name
- 1-propylindole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 204.10192 | 143.4 |
[M+Na]+ | 226.08386 | 156.4 |
[M+NH4]+ | 221.12846 | 151.5 |
[M+K]+ | 242.05780 | 151.9 |
[M-H]- | 202.08736 | 144.5 |
[M+Na-2H]- | 224.06931 | 149.0 |
[M]+ | 203.09409 | 145.5 |
[M]- | 203.09519 | 145.5 |
Literature stripe
No literature data available for this compound.