CID 4561836
2-amino-2-(2-bromophenyl)acetic acid
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- C1=CC=C(C(=C1)C(C(=O)O)N)Br
- InChI
- InChI=1S/C8H8BrNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
- InChIKey
- PTWAPNNQAOAJDI-UHFFFAOYSA-N
- Compound name
- 2-amino-2-(2-bromophenyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 139.1 |
[M+Na]+ | 251.96307 | 140.7 |
[M+NH4]+ | 247.00767 | 143.1 |
[M+K]+ | 267.93701 | 142.4 |
[M-H]- | 227.96657 | 139.0 |
[M+Na-2H]- | 249.94852 | 141.6 |
[M]+ | 228.97330 | 137.9 |
[M]- | 228.97440 | 137.9 |