CID 63788054
3-bromo-1-(oxan-4-yl)pyrrolidin-2-one
Structural Information
- Molecular Formula
- C9H14BrNO2
- SMILES
- C1CN(C(=O)C1Br)C2CCOCC2
- InChI
- InChI=1S/C9H14BrNO2/c10-8-1-4-11(9(8)12)7-2-5-13-6-3-7/h7-8H,1-6H2
- InChIKey
- DJIPXYRQUTZFGT-UHFFFAOYSA-N
- Compound name
- 3-bromo-1-(oxan-4-yl)pyrrolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 248.02806 | 150.7 |
[M+Na]+ | 270.01000 | 159.6 |
[M-H]- | 246.01350 | 158.3 |
[M+NH4]+ | 265.05460 | 170.5 |
[M+K]+ | 285.98394 | 150.8 |
[M+H-H2O]+ | 230.01804 | 150.4 |
[M+HCOO]- | 292.01898 | 166.5 |
[M+CH3COO]- | 306.03463 | 187.1 |
[M+Na-2H]- | 267.99545 | 154.1 |
[M]+ | 247.02023 | 164.6 |
[M]- | 247.02133 | 164.6 |
Literature stripe
No literature data available for this compound.