CID 22015114
934001-46-4
Structural Information
- Molecular Formula
- C16H31BrO2
- SMILES
- CCCCCCCCCCCCOC(=O)C(C)(C)Br
- InChI
- InChI=1S/C16H31BrO2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(18)16(2,3)17/h4-14H2,1-3H3
- InChIKey
- TUPZPNIRCIQNLF-UHFFFAOYSA-N
- Compound name
- dodecyl 2-bromo-2-methylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.15801 | 181.1 |
[M+Na]+ | 357.13995 | 188.4 |
[M-H]- | 333.14345 | 182.7 |
[M+NH4]+ | 352.18455 | 199.0 |
[M+K]+ | 373.11389 | 176.8 |
[M+H-H2O]+ | 317.14799 | 180.4 |
[M+HCOO]- | 379.14893 | 197.4 |
[M+CH3COO]- | 393.16458 | 209.4 |
[M+Na-2H]- | 355.12540 | 183.2 |
[M]+ | 334.15018 | 205.1 |
[M]- | 334.15128 | 205.1 |
Literature stripe
No literature data available for this compound.