CID 2757027
4-bromo-julolidine
Structural Information
- Molecular Formula
- C12H14BrN
- SMILES
- C1CC2=CC(=CC3=C2N(C1)CCC3)Br
- InChI
- InChI=1S/C12H14BrN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
- InChIKey
- PVTRKHJBWSTNOI-UHFFFAOYSA-N
- Compound name
- 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.03824 | 150.6 |
[M+Na]+ | 274.02018 | 160.1 |
[M-H]- | 250.02368 | 155.7 |
[M+NH4]+ | 269.06478 | 172.3 |
[M+K]+ | 289.99412 | 148.8 |
[M+H-H2O]+ | 234.02822 | 150.2 |
[M+HCOO]- | 296.02916 | 164.8 |
[M+CH3COO]- | 310.04481 | 163.8 |
[M+Na-2H]- | 272.00563 | 158.9 |
[M]+ | 251.03041 | 165.2 |
[M]- | 251.03151 | 165.2 |