CID 21887162
1,2,3,4,5,6-hexahydro-3-benzazocine
Structural Information
- Molecular Formula
- C11H15N
- SMILES
- C1CC2=CC=CC=C2CCNC1
- InChI
- InChI=1S/C11H15N/c1-2-5-11-7-9-12-8-3-6-10(11)4-1/h1-2,4-5,12H,3,6-9H2
- InChIKey
- UPQCFWKOZOXUSC-UHFFFAOYSA-N
- Compound name
- 1,2,3,4,5,6-hexahydro-3-benzazocine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 162.12773 | 143.3 |
[M+Na]+ | 184.10967 | 147.5 |
[M-H]- | 160.11317 | 144.0 |
[M+NH4]+ | 179.15427 | 152.1 |
[M+K]+ | 200.08361 | 147.0 |
[M+H-H2O]+ | 144.11771 | 139.5 |
[M+HCOO]- | 206.11865 | 151.4 |
[M+CH3COO]- | 220.13430 | 148.2 |
[M+Na-2H]- | 182.09512 | 145.2 |
[M]+ | 161.11990 | 140.6 |
[M]- | 161.12100 | 140.6 |
Literature stripe
No literature data available for this compound.