CID 89308
4h-pyrazolo[3,4-d]pyrimidin-4-amine
Structural Information
- Molecular Formula
- C5H5N5
- SMILES
- C1=C2C(N=CN=C2N=N1)N
- InChI
- InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2,4H,6H2
- InChIKey
- VAOHIJMLMILFFA-UHFFFAOYSA-N
- Compound name
- 4H-pyrazolo[3,4-d]pyrimidin-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 136.06177 | 123.9 |
[M+Na]+ | 158.04371 | 134.8 |
[M-H]- | 134.04721 | 123.4 |
[M+NH4]+ | 153.08831 | 142.8 |
[M+K]+ | 174.01765 | 132.2 |
[M+H-H2O]+ | 118.05175 | 115.6 |
[M+HCOO]- | 180.05269 | 145.7 |
[M+CH3COO]- | 194.06834 | 137.5 |
[M+Na-2H]- | 156.02916 | 133.5 |
[M]+ | 135.05394 | 122.8 |
[M]- | 135.05504 | 122.8 |