CID 19425
2-methylpropanedinitrile
Structural Information
- Molecular Formula
- C4H4N2
- SMILES
- CC(C#N)C#N
- InChI
- InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3
- InChIKey
- LXUTYOVUICAOGH-UHFFFAOYSA-N
- Compound name
- 2-methylpropanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 81.044721 | 129.6 |
[M+Na]+ | 103.02666 | 139.1 |
[M-H]- | 79.030169 | 132.3 |
[M+NH4]+ | 98.071268 | 145.5 |
[M+K]+ | 119.00060 | 138.7 |
[M+H-H2O]+ | 63.034705 | 116.0 |
[M+HCOO]- | 125.03565 | 142.6 |
[M+CH3COO]- | 139.05130 | 203.5 |
[M+Na-2H]- | 101.01211 | 133.6 |
[M]+ | 80.036896 | 121.7 |
[M]- | 80.037994 | 121.7 |