CID 26622
2-chloro-n-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide
Structural Information
- Molecular Formula
- C12H16ClNO3
- SMILES
- COC1=C(C=C(C=C1)CCNC(=O)CCl)OC
- InChI
- InChI=1S/C12H16ClNO3/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-12(15)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
- InChIKey
- WWBJEBQJHYKQHM-UHFFFAOYSA-N
- Compound name
- 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 258.08916 | 155.7 |
[M+Na]+ | 280.07110 | 163.6 |
[M-H]- | 256.07460 | 159.3 |
[M+NH4]+ | 275.11570 | 173.6 |
[M+K]+ | 296.04504 | 160.4 |
[M+H-H2O]+ | 240.07914 | 150.1 |
[M+HCOO]- | 302.08008 | 175.7 |
[M+CH3COO]- | 316.09573 | 196.7 |
[M+Na-2H]- | 278.05655 | 159.5 |
[M]+ | 257.08133 | 161.7 |
[M]- | 257.08243 | 161.7 |