CID 4414641
2-bromo-n-(4-methoxyphenyl)-3-methylbutanamide
Structural Information
- Molecular Formula
- C12H16BrNO2
- SMILES
- CC(C)C(C(=O)NC1=CC=C(C=C1)OC)Br
- InChI
- InChI=1S/C12H16BrNO2/c1-8(2)11(13)12(15)14-9-4-6-10(16-3)7-5-9/h4-8,11H,1-3H3,(H,14,15)
- InChIKey
- FHXCLDHAFSJZIZ-UHFFFAOYSA-N
- Compound name
- 2-bromo-N-(4-methoxyphenyl)-3-methylbutanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.04372 | 158.6 |
[M+Na]+ | 308.02566 | 167.2 |
[M-H]- | 284.02916 | 164.4 |
[M+NH4]+ | 303.07026 | 177.5 |
[M+K]+ | 323.99960 | 156.9 |
[M+H-H2O]+ | 268.03370 | 157.3 |
[M+HCOO]- | 330.03464 | 178.1 |
[M+CH3COO]- | 344.05029 | 200.7 |
[M+Na-2H]- | 306.01111 | 161.9 |
[M]+ | 285.03589 | 177.7 |
[M]- | 285.03699 | 177.7 |
Literature stripe
Patent stripe
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