CID 3041747
Pyrimidine, 5-amino-2-butoxy-
Structural Information
- Molecular Formula
- C8H13N3O
- SMILES
- CCCCOC1=NC=C(C=N1)N
- InChI
- InChI=1S/C8H13N3O/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
- InChIKey
- ZCYLUQUNKIIGEI-UHFFFAOYSA-N
- Compound name
- 2-butoxypyrimidin-5-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.11315 | 135.8 |
[M+Na]+ | 190.09509 | 143.8 |
[M-H]- | 166.09859 | 136.3 |
[M+NH4]+ | 185.13969 | 153.4 |
[M+K]+ | 206.06903 | 141.9 |
[M+H-H2O]+ | 150.10313 | 128.2 |
[M+HCOO]- | 212.10407 | 158.8 |
[M+CH3COO]- | 226.11972 | 181.0 |
[M+Na-2H]- | 188.08054 | 143.3 |
[M]+ | 167.10532 | 136.5 |
[M]- | 167.10642 | 136.5 |