CID 135408829
8-bromoguanine
Structural Information
- Molecular Formula
- C5H4BrN5O
- SMILES
- C12=C(N=C(NC1=O)N)N=C(N2)Br
- InChI
- InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
- InChIKey
- CRYCZDRIXVHNQB-UHFFFAOYSA-N
- Compound name
- 2-amino-8-bromo-1,7-dihydropurin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.96720 | 134.3 |
[M+Na]+ | 251.94914 | 149.8 |
[M-H]- | 227.95264 | 135.2 |
[M+NH4]+ | 246.99374 | 152.4 |
[M+K]+ | 267.92308 | 136.5 |
[M+H-H2O]+ | 211.95718 | 133.2 |
[M+HCOO]- | 273.95812 | 152.7 |
[M+CH3COO]- | 287.97377 | 148.8 |
[M+Na-2H]- | 249.93459 | 143.4 |
[M]+ | 228.95937 | 151.1 |
[M]- | 228.96047 | 151.1 |