CID 75481171
4-bromooxane-4-carboxylic acid
Structural Information
- Molecular Formula
- C6H9BrO3
- SMILES
- C1COCCC1(C(=O)O)Br
- InChI
- InChI=1S/C6H9BrO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)
- InChIKey
- QEOPAXDMQKLKCF-UHFFFAOYSA-N
- Compound name
- 4-bromooxane-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.98079 | 135.4 |
[M+Na]+ | 230.96273 | 144.5 |
[M-H]- | 206.96623 | 140.5 |
[M+NH4]+ | 226.00733 | 157.3 |
[M+K]+ | 246.93667 | 136.4 |
[M+H-H2O]+ | 190.97077 | 137.0 |
[M+HCOO]- | 252.97171 | 151.8 |
[M+CH3COO]- | 266.98736 | 177.3 |
[M+Na-2H]- | 228.94818 | 143.5 |
[M]+ | 207.97296 | 150.9 |
[M]- | 207.97406 | 150.9 |
Literature stripe
No literature data available for this compound.