CID 414682
1-(2-chloroethyl)-3-carbamoylpyridinium chloride
Structural Information
- Molecular Formula
- C8H10ClN2O
- SMILES
- C1=CC(=C[N+](=C1)CCCl)C(=O)N
- InChI
- InChI=1S/C8H9ClN2O/c9-3-5-11-4-1-2-7(6-11)8(10)12/h1-2,4,6H,3,5H2,(H-,10,12)/p+1
- InChIKey
- UMXFCFVQAHGWFQ-UHFFFAOYSA-O
- Compound name
- 1-(2-chloroethyl)pyridin-1-ium-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.05545 | 136.4 |
[M+Na]+ | 208.03739 | 144.8 |
[M-H]- | 184.04089 | 138.4 |
[M+NH4]+ | 203.08199 | 154.9 |
[M+K]+ | 224.01133 | 135.7 |
[M+H-H2O]+ | 168.04543 | 133.5 |
[M+HCOO]- | 230.04637 | 154.9 |
[M+CH3COO]- | 244.06202 | 175.1 |
[M+Na-2H]- | 206.02284 | 144.3 |
[M]+ | 185.04762 | 135.8 |
[M]- | 185.04872 | 135.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.