CID 4065
Meprylcaine
Structural Information
- Molecular Formula
- C14H21NO2
- SMILES
- CCCNC(C)(C)COC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
- InChIKey
- VXJABHHJLXLNMP-UHFFFAOYSA-N
- Compound name
- [2-methyl-2-(propylamino)propyl] benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.16451 | 156.8 |
[M+Na]+ | 258.14645 | 161.7 |
[M-H]- | 234.14995 | 159.8 |
[M+NH4]+ | 253.19105 | 174.3 |
[M+K]+ | 274.12039 | 159.9 |
[M+H-H2O]+ | 218.15449 | 150.3 |
[M+HCOO]- | 280.15543 | 178.9 |
[M+CH3COO]- | 294.17108 | 194.9 |
[M+Na-2H]- | 256.13190 | 162.1 |
[M]+ | 235.15668 | 158.8 |
[M]- | 235.15778 | 158.8 |