CID 78064801
1259976-03-8
Structural Information
- Molecular Formula
- C14H17Br2NO4
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1)Br)Br)C(=O)O
- InChI
- InChI=1S/C14H17Br2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)
- InChIKey
- HQICTPLNJXAZQF-UHFFFAOYSA-N
- Compound name
- 3-(3,5-dibromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 421.95970 | 173.5 |
[M+Na]+ | 443.94164 | 180.9 |
[M-H]- | 419.94514 | 178.3 |
[M+NH4]+ | 438.98624 | 187.4 |
[M+K]+ | 459.91558 | 165.3 |
[M+H-H2O]+ | 403.94968 | 179.2 |
[M+HCOO]- | 465.95062 | 185.0 |
[M+CH3COO]- | 479.96627 | 220.4 |
[M+Na-2H]- | 441.92709 | 175.4 |
[M]+ | 420.95187 | 207.6 |
[M]- | 420.95297 | 207.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.