CID 305
Choline
Structural Information
- Molecular Formula
- C5H14NO
- SMILES
- C[N+](C)(C)CCO
- InChI
- InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
- InChIKey
- OEYIOHPDSNJKLS-UHFFFAOYSA-N
- Compound name
- 2-hydroxyethyl(trimethyl)azanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 105.11482 | 117.9 |
[M+Na]+ | 127.09676 | 125.3 |
[M-H]- | 103.10026 | 119.0 |
[M+NH4]+ | 122.14136 | 141.1 |
[M+K]+ | 143.07070 | 120.5 |
[M+H-H2O]+ | 87.104800 | 117.2 |
[M+HCOO]- | 149.10574 | 141.5 |
[M+CH3COO]- | 163.12139 | 164.6 |
[M+Na-2H]- | 125.08221 | 129.0 |
[M]+ | 104.10699 | 117.3 |
[M]- | 104.10809 | 117.3 |