CID 126821709
2-benzyl-3a,6a-dimethyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
Structural Information
- Molecular Formula
- C15H22N2
- SMILES
- CC12CNCC1(CN(C2)CC3=CC=CC=C3)C
- InChI
- InChI=1S/C15H22N2/c1-14-9-16-10-15(14,2)12-17(11-14)8-13-6-4-3-5-7-13/h3-7,16H,8-12H2,1-2H3
- InChIKey
- QYDLHLFKHURUHQ-UHFFFAOYSA-N
- Compound name
- 5-benzyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.18558 | 156.2 |
[M+Na]+ | 253.16752 | 163.2 |
[M-H]- | 229.17102 | 159.5 |
[M+NH4]+ | 248.21212 | 179.1 |
[M+K]+ | 269.14146 | 158.5 |
[M+H-H2O]+ | 213.17556 | 148.7 |
[M+HCOO]- | 275.17650 | 173.4 |
[M+CH3COO]- | 289.19215 | 167.5 |
[M+Na-2H]- | 251.15297 | 158.8 |
[M]+ | 230.17775 | 151.9 |
[M]- | 230.17885 | 151.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.