CID 15846
Benzylmalononitrile
Structural Information
- Molecular Formula
- C10H8N2
- SMILES
- C1=CC=C(C=C1)CC(C#N)C#N
- InChI
- InChI=1S/C10H8N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10H,6H2
- InChIKey
- ODFHXXQVNHHDDG-UHFFFAOYSA-N
- Compound name
- 2-benzylpropanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.07602 | 149.2 |
[M+Na]+ | 179.05796 | 158.6 |
[M-H]- | 155.06146 | 152.5 |
[M+NH4]+ | 174.10256 | 162.8 |
[M+K]+ | 195.03190 | 154.7 |
[M+H-H2O]+ | 139.06600 | 134.1 |
[M+HCOO]- | 201.06694 | 161.7 |
[M+CH3COO]- | 215.08259 | 211.9 |
[M+Na-2H]- | 177.04341 | 152.1 |
[M]+ | 156.06819 | 140.7 |
[M]- | 156.06929 | 140.7 |