CID 14341294
2-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroisoquinoline
Structural Information
- Molecular Formula
- C12H13N
- SMILES
- C#CCN1CCC2=CC=CC=C2C1
- InChI
- InChI=1S/C12H13N/c1-2-8-13-9-7-11-5-3-4-6-12(11)10-13/h1,3-6H,7-10H2
- InChIKey
- WPKUJASRSJBGJR-UHFFFAOYSA-N
- Compound name
- 2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 172.11208 | 137.2 |
[M+Na]+ | 194.09402 | 146.9 |
[M-H]- | 170.09752 | 138.0 |
[M+NH4]+ | 189.13862 | 155.0 |
[M+K]+ | 210.06796 | 140.5 |
[M+H-H2O]+ | 154.10206 | 124.6 |
[M+HCOO]- | 216.10300 | 151.2 |
[M+CH3COO]- | 230.11865 | 148.1 |
[M+Na-2H]- | 192.07947 | 143.3 |
[M]+ | 171.10425 | 129.2 |
[M]- | 171.10535 | 129.2 |