CID 165669838
2732245-17-7
Structural Information
- Molecular Formula
- C16H19NO2
- SMILES
- CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2C#C
- InChI
- InChI=1S/C16H19NO2/c1-5-12-7-6-8-13-11-17(10-9-14(12)13)15(18)19-16(2,3)4/h1,6-8H,9-11H2,2-4H3
- InChIKey
- IEXIZSXWPBNILD-UHFFFAOYSA-N
- Compound name
- tert-butyl 5-ethynyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 258.14885 | 163.7 |
[M+Na]+ | 280.13079 | 172.8 |
[M-H]- | 256.13429 | 164.6 |
[M+NH4]+ | 275.17539 | 178.6 |
[M+K]+ | 296.10473 | 167.2 |
[M+H-H2O]+ | 240.13883 | 151.1 |
[M+HCOO]- | 302.13977 | 174.5 |
[M+CH3COO]- | 316.15542 | 202.8 |
[M+Na-2H]- | 278.11624 | 166.3 |
[M]+ | 257.14102 | 157.8 |
[M]- | 257.14212 | 157.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.