CID 71173369
(1s,4s)-2-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo(2.2.1)heptane
Structural Information
- Molecular Formula
- C9H11BrN4
- SMILES
- C1[C@H]2CN[C@@H]1CN2C3=NC=C(C=N3)Br
- InChI
- InChI=1S/C9H11BrN4/c10-6-2-12-9(13-3-6)14-5-7-1-8(14)4-11-7/h2-3,7-8,11H,1,4-5H2/t7-,8-/m0/s1
- InChIKey
- XYJOKNMLKGMNDK-YUMQZZPRSA-N
- Compound name
- (1S,4S)-2-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 255.02399 | 150.0 |
[M+Na]+ | 277.00593 | 162.1 |
[M-H]- | 253.00943 | 152.9 |
[M+NH4]+ | 272.05053 | 170.1 |
[M+K]+ | 292.97987 | 151.0 |
[M+H-H2O]+ | 237.01397 | 148.8 |
[M+HCOO]- | 299.01491 | 164.7 |
[M+CH3COO]- | 313.03056 | 163.3 |
[M+Na-2H]- | 274.99138 | 154.9 |
[M]+ | 254.01616 | 165.5 |
[M]- | 254.01726 | 165.5 |
Literature stripe
No literature data available for this compound.