CID 798
Indole
Structural Information
- Molecular Formula
- C8H7N
- SMILES
- C1=CC=C2C(=C1)C=CN2
- InChI
- InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
- InChIKey
- SIKJAQJRHWYJAI-UHFFFAOYSA-N
- Compound name
- 1H-indole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 118.06512 | 119.5 |
[M+Na]+ | 140.04706 | 133.8 |
[M+NH4]+ | 135.09167 | 129.8 |
[M+K]+ | 156.02100 | 128.0 |
[M-H]- | 116.05057 | 122.0 |
[M+Na-2H]- | 138.03251 | 128.1 |
[M]+ | 117.05730 | 122.3 |
[M]- | 117.05839 | 122.3 |