CID 46796
(2-acetoxy-3,5-dimethyl)phenyltrimethylammonium bromide
Structural Information
- Molecular Formula
- C13H20NO2
- SMILES
- CC1=CC(=C(C(=C1)[N+](C)(C)C)OC(=O)C)C
- InChI
- InChI=1S/C13H20NO2/c1-9-7-10(2)13(16-11(3)15)12(8-9)14(4,5)6/h7-8H,1-6H3/q+1
- InChIKey
- MVFAFFSALKLPMT-UHFFFAOYSA-N
- Compound name
- (2-acetyloxy-3,5-dimethylphenyl)-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.15668 | 147.1 |
[M+Na]+ | 245.13862 | 155.6 |
[M-H]- | 221.14212 | 153.2 |
[M+NH4]+ | 240.18322 | 166.8 |
[M+K]+ | 261.11256 | 149.4 |
[M+H-H2O]+ | 205.14666 | 144.5 |
[M+HCOO]- | 267.14760 | 170.6 |
[M+CH3COO]- | 281.16325 | 191.1 |
[M+Na-2H]- | 243.12407 | 154.1 |
[M]+ | 222.14885 | 150.0 |
[M]- | 222.14995 | 150.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.