CID 5288826
Morphine
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
- InChI
- InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
- InChIKey
- BQJCRHHNABKAKU-KBQPJGBKSA-N
- Compound name
- (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 164.0 |
[M+Na]+ | 308.12572 | 171.3 |
[M-H]- | 284.12922 | 166.3 |
[M+NH4]+ | 303.17032 | 183.9 |
[M+K]+ | 324.09966 | 167.0 |
[M+H-H2O]+ | 268.13376 | 156.5 |
[M+HCOO]- | 330.13470 | 172.7 |
[M+CH3COO]- | 344.15035 | 174.0 |
[M+Na-2H]- | 306.11117 | 168.6 |
[M]+ | 285.13595 | 162.7 |
[M]- | 285.13705 | 162.7 |