CID 3063140
Brn 0249542
Structural Information
- Molecular Formula
- C11H9N5O
- SMILES
- CC(C)OC1=C(C(=C(C(=N1)N)C#N)C#N)C#N
- InChI
- InChI=1S/C11H9N5O/c1-6(2)17-11-9(5-14)7(3-12)8(4-13)10(15)16-11/h6H,1-2H3,(H2,15,16)
- InChIKey
- KEUYHNCFTDJTHU-UHFFFAOYSA-N
- Compound name
- 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 228.08798 | 166.4 |
[M+Na]+ | 250.06992 | 173.5 |
[M-H]- | 226.07342 | 169.3 |
[M+NH4]+ | 245.11452 | 172.7 |
[M+K]+ | 266.04386 | 172.0 |
[M+H-H2O]+ | 210.07796 | 152.9 |
[M+HCOO]- | 272.07890 | 171.4 |
[M+CH3COO]- | 286.09455 | 238.6 |
[M+Na-2H]- | 248.05537 | 164.3 |
[M]+ | 227.08015 | 158.6 |
[M]- | 227.08125 | 158.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.