CID 20435656
2-ethyl-3-methylbutanenitrile
Structural Information
- Molecular Formula
- C7H13N
- SMILES
- CCC(C#N)C(C)C
- InChI
- InChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h6-7H,4H2,1-3H3
- InChIKey
- QWQABVCWMQBZMY-UHFFFAOYSA-N
- Compound name
- 2-ethyl-3-methylbutanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 112.11208 | 123.8 |
[M+Na]+ | 134.09402 | 132.2 |
[M-H]- | 110.09752 | 124.8 |
[M+NH4]+ | 129.13862 | 144.6 |
[M+K]+ | 150.06796 | 132.2 |
[M+H-H2O]+ | 94.102060 | 113.1 |
[M+HCOO]- | 156.10300 | 142.2 |
[M+CH3COO]- | 170.11865 | 186.4 |
[M+Na-2H]- | 132.07947 | 128.2 |
[M]+ | 111.10425 | 119.4 |
[M]- | 111.10535 | 119.4 |