CID 105511324
6-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
Structural Information
- Molecular Formula
- C10H10BrNO2
- SMILES
- C1C(NCC2=C1C=C(C=C2)Br)C(=O)O
- InChI
- InChI=1S/C10H10BrNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5H2,(H,13,14)
- InChIKey
- ABTKHLULIDKVRJ-UHFFFAOYSA-N
- Compound name
- 6-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 255.99677 | 147.7 |
[M+Na]+ | 277.97871 | 157.7 |
[M-H]- | 253.98221 | 150.7 |
[M+NH4]+ | 273.02331 | 166.7 |
[M+K]+ | 293.95265 | 145.8 |
[M+H-H2O]+ | 237.98675 | 147.8 |
[M+HCOO]- | 299.98769 | 162.1 |
[M+CH3COO]- | 314.00334 | 186.7 |
[M+Na-2H]- | 275.96416 | 153.9 |
[M]+ | 254.98894 | 161.9 |
[M]- | 254.99004 | 161.9 |
Literature stripe
No literature data available for this compound.