CID 20373431
4-(bromomethyl)cyclohexane-1-carbonitrile
Structural Information
- Molecular Formula
- C8H12BrN
- SMILES
- C1CC(CCC1CBr)C#N
- InChI
- InChI=1S/C8H12BrN/c9-5-7-1-3-8(6-10)4-2-7/h7-8H,1-5H2
- InChIKey
- QYQXSDNRTNJKHA-UHFFFAOYSA-N
- Compound name
- 4-(bromomethyl)cyclohexane-1-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.02258 | 132.7 |
[M+Na]+ | 224.00452 | 144.3 |
[M-H]- | 200.00802 | 137.0 |
[M+NH4]+ | 219.04912 | 153.3 |
[M+K]+ | 239.97846 | 133.0 |
[M+H-H2O]+ | 184.01256 | 126.8 |
[M+HCOO]- | 246.01350 | 150.3 |
[M+CH3COO]- | 260.02915 | 194.2 |
[M+Na-2H]- | 221.98997 | 139.0 |
[M]+ | 201.01475 | 141.1 |
[M]- | 201.01585 | 141.1 |
Literature stripe
No literature data available for this compound.