CID 54595468
2-amino-3-(4-bromo-1h-pyrazol-1-yl)-2-methylpropanenitrile
Structural Information
- Molecular Formula
- C7H9BrN4
- SMILES
- CC(CN1C=C(C=N1)Br)(C#N)N
- InChI
- InChI=1S/C7H9BrN4/c1-7(10,4-9)5-12-3-6(8)2-11-12/h2-3H,5,10H2,1H3
- InChIKey
- FIPNVUKDAABFGU-UHFFFAOYSA-N
- Compound name
- 2-amino-3-(4-bromopyrazol-1-yl)-2-methylpropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.00833 | 140.3 |
[M+Na]+ | 250.99027 | 153.2 |
[M-H]- | 226.99377 | 141.8 |
[M+NH4]+ | 246.03487 | 158.3 |
[M+K]+ | 266.96421 | 142.5 |
[M+H-H2O]+ | 210.99831 | 131.6 |
[M+HCOO]- | 272.99925 | 158.6 |
[M+CH3COO]- | 287.01490 | 199.1 |
[M+Na-2H]- | 248.97572 | 146.7 |
[M]+ | 228.00050 | 150.8 |
[M]- | 228.00160 | 150.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.