CID 13158036
2,3-dimethylbutanenitrile
Structural Information
- Molecular Formula
- C6H11N
- SMILES
- CC(C)C(C)C#N
- InChI
- InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3
- InChIKey
- ZMRCOHMOBLASFC-UHFFFAOYSA-N
- Compound name
- 2,3-dimethylbutanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 98.096426 | 120.6 |
[M+Na]+ | 120.07837 | 130.9 |
[M+NH4]+ | 115.12297 | 125.9 |
[M+K]+ | 136.05231 | 123.0 |
[M-H]- | 96.081874 | 113.7 |
[M+Na-2H]- | 118.06382 | 122.8 |
[M]+ | 97.088601 | 119.2 |
[M]- | 97.089699 | 119.2 |