CID 3038007
6-thio-7-methylguanine
Structural Information
- Molecular Formula
- C6H7N5S
- SMILES
- CN1C=NC2=C1C(=S)N=C(N2)N
- InChI
- InChI=1S/C6H7N5S/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
- InChIKey
- AJOUMKDWEVWIEU-UHFFFAOYSA-N
- Compound name
- 2-amino-7-methyl-3H-purine-6-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.04950 | 134.8 |
[M+Na]+ | 204.03144 | 148.7 |
[M-H]- | 180.03494 | 134.2 |
[M+NH4]+ | 199.07604 | 152.8 |
[M+K]+ | 220.00538 | 143.1 |
[M+H-H2O]+ | 164.03948 | 128.3 |
[M+HCOO]- | 226.04042 | 151.3 |
[M+CH3COO]- | 240.05607 | 148.1 |
[M+Na-2H]- | 202.01689 | 139.4 |
[M]+ | 181.04167 | 136.1 |
[M]- | 181.04277 | 136.1 |