CID 3314397
3-methyl-7-propylpurine-2,6-dione
Structural Information
- Molecular Formula
- C9H12N4O2
- SMILES
- CCCN1C=NC2=C1C(=O)NC(=O)N2C
- InChI
- InChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)
- InChIKey
- MHNVSFOURBQRPK-UHFFFAOYSA-N
- Compound name
- 3-methyl-7-propylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.10330 | 143.8 |
[M+Na]+ | 231.08524 | 157.4 |
[M-H]- | 207.08874 | 143.3 |
[M+NH4]+ | 226.12984 | 160.5 |
[M+K]+ | 247.05918 | 152.9 |
[M+H-H2O]+ | 191.09328 | 136.2 |
[M+HCOO]- | 253.09422 | 164.3 |
[M+CH3COO]- | 267.10987 | 184.4 |
[M+Na-2H]- | 229.07069 | 149.8 |
[M]+ | 208.09547 | 147.9 |
[M]- | 208.09657 | 147.9 |