CID 204291
Chembl163814
Structural Information
- Molecular Formula
- C13H21N
- SMILES
- CCCC1=CC=C(C=C1)CC(C)NC
- InChI
- InChI=1S/C13H21N/c1-4-5-12-6-8-13(9-7-12)10-11(2)14-3/h6-9,11,14H,4-5,10H2,1-3H3
- InChIKey
- IIRAUZQVFXYSCK-UHFFFAOYSA-N
- Compound name
- N-methyl-1-(4-propylphenyl)propan-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 192.17468 | 146.6 |
[M+Na]+ | 214.15662 | 152.1 |
[M-H]- | 190.16012 | 149.8 |
[M+NH4]+ | 209.20122 | 166.2 |
[M+K]+ | 230.13056 | 149.7 |
[M+H-H2O]+ | 174.16466 | 140.3 |
[M+HCOO]- | 236.16560 | 169.8 |
[M+CH3COO]- | 250.18125 | 190.3 |
[M+Na-2H]- | 212.14207 | 151.0 |
[M]+ | 191.16685 | 146.9 |
[M]- | 191.16795 | 146.9 |
Literature stripe
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