CID 208489
T 2434
Structural Information
- Molecular Formula
- C20H34NO3
- SMILES
- CC[N+](C)(CC)CCCOC(=O)COC1=C(C=CC(=C1)C)C(C)C
- InChI
- InChI=1S/C20H34NO3/c1-7-21(6,8-2)12-9-13-23-20(22)15-24-19-14-17(5)10-11-18(19)16(3)4/h10-11,14,16H,7-9,12-13,15H2,1-6H3/q+1
- InChIKey
- VSPBMJFGPJIIIW-UHFFFAOYSA-N
- Compound name
- diethyl-methyl-[3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 337.26116 | 185.0 |
[M+Na]+ | 359.24310 | 189.2 |
[M-H]- | 335.24660 | 189.3 |
[M+NH4]+ | 354.28770 | 199.6 |
[M+K]+ | 375.21704 | 182.2 |
[M+H-H2O]+ | 319.25114 | 180.5 |
[M+HCOO]- | 381.25208 | 205.3 |
[M+CH3COO]- | 395.26773 | 213.7 |
[M+Na-2H]- | 357.22855 | 187.7 |
[M]+ | 336.25333 | 190.8 |
[M]- | 336.25443 | 190.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.