CID 3046426
N-(2-cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride
Structural Information
- Molecular Formula
- C14H17F3N2O
- SMILES
- CC(C(C1=CC(=CC=C1)C(F)(F)F)OC)NCCC#N
- InChI
- InChI=1S/C14H17F3N2O/c1-10(19-8-4-7-18)13(20-2)11-5-3-6-12(9-11)14(15,16)17/h3,5-6,9-10,13,19H,4,8H2,1-2H3
- InChIKey
- ZWLBZQFSRWSKCP-UHFFFAOYSA-N
- Compound name
- 3-[[1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.13658 | 162.9 |
[M+Na]+ | 309.11852 | 170.0 |
[M-H]- | 285.12202 | 161.8 |
[M+NH4]+ | 304.16312 | 176.5 |
[M+K]+ | 325.09246 | 167.0 |
[M+H-H2O]+ | 269.12656 | 147.5 |
[M+HCOO]- | 331.12750 | 177.3 |
[M+CH3COO]- | 345.14315 | 215.0 |
[M+Na-2H]- | 307.10397 | 164.2 |
[M]+ | 286.12875 | 155.2 |
[M]- | 286.12985 | 155.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.