CID 211010
Lu 3-092 hydrochloride
Structural Information
- Molecular Formula
- C16H22N2O
- SMILES
- CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C#N)C
- InChI
- InChI=1S/C16H22N2O/c1-15(2)13-8-5-6-9-14(13)16(12-17,19-15)10-7-11-18(3)4/h5-6,8-9H,7,10-11H2,1-4H3
- InChIKey
- QUIOIMVDCODQIX-UHFFFAOYSA-N
- Compound name
- 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 259.18050 | 160.2 |
[M+Na]+ | 281.16244 | 171.3 |
[M-H]- | 257.16594 | 166.0 |
[M+NH4]+ | 276.20704 | 181.2 |
[M+K]+ | 297.13638 | 166.4 |
[M+H-H2O]+ | 241.17048 | 148.4 |
[M+HCOO]- | 303.17142 | 179.1 |
[M+CH3COO]- | 317.18707 | 213.0 |
[M+Na-2H]- | 279.14789 | 165.6 |
[M]+ | 258.17267 | 159.2 |
[M]- | 258.17377 | 159.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.