CID 437556
1h-indazole-3-carbonitrile
Structural Information
- Molecular Formula
- C8H5N3
- SMILES
- C1=CC=C2C(=C1)C(=NN2)C#N
- InChI
- InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
- InChIKey
- REHRQXVEAXFIML-UHFFFAOYSA-N
- Compound name
- 1H-indazole-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 144.05562 | 130.8 |
[M+Na]+ | 166.03756 | 144.2 |
[M+NH4]+ | 161.08216 | 136.2 |
[M+K]+ | 182.01150 | 135.9 |
[M-H]- | 142.04106 | 124.8 |
[M+Na-2H]- | 164.02301 | 135.4 |
[M]+ | 143.04779 | 130.2 |
[M]- | 143.04889 | 130.2 |