CID 86691193
Rac-(1r,2r)-2-(6-bromopyridin-3-yl)cyclopropane-1-carboxylic acid
Structural Information
- Molecular Formula
- C9H8BrNO2
- SMILES
- C1[C@H]([C@@H]1C(=O)O)C2=CN=C(C=C2)Br
- InChI
- InChI=1S/C9H8BrNO2/c10-8-2-1-5(4-11-8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1
- InChIKey
- JTVUIBKAAUOMFG-NKWVEPMBSA-N
- Compound name
- (1R,2R)-2-(6-bromopyridin-3-yl)cyclopropane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.98113 | 144.0 |
[M+Na]+ | 263.96307 | 157.6 |
[M-H]- | 239.96657 | 151.9 |
[M+NH4]+ | 259.00767 | 159.1 |
[M+K]+ | 279.93701 | 145.6 |
[M+H-H2O]+ | 223.97111 | 143.2 |
[M+HCOO]- | 285.97205 | 163.7 |
[M+CH3COO]- | 299.98770 | 189.5 |
[M+Na-2H]- | 261.94852 | 150.4 |
[M]+ | 240.97330 | 163.7 |
[M]- | 240.97440 | 163.7 |
Literature stripe
No literature data available for this compound.