CID 85309
16156-90-4
Structural Information
- Molecular Formula
- C6H8IN3O2
- SMILES
- CC1=NC=C(N1CCI)[N+](=O)[O-]
- InChI
- InChI=1S/C6H8IN3O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3H2,1H3
- InChIKey
- ROXLQGHOPINWFU-UHFFFAOYSA-N
- Compound name
- 1-(2-iodoethyl)-2-methyl-5-nitroimidazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.97341 | 145.2 |
[M+Na]+ | 303.95535 | 147.2 |
[M-H]- | 279.95885 | 140.2 |
[M+NH4]+ | 298.99995 | 159.3 |
[M+K]+ | 319.92929 | 147.9 |
[M+H-H2O]+ | 263.96339 | 139.2 |
[M+HCOO]- | 325.96433 | 164.6 |
[M+CH3COO]- | 339.97998 | 183.2 |
[M+Na-2H]- | 301.94080 | 140.0 |
[M]+ | 280.96558 | 142.6 |
[M]- | 280.96668 | 142.6 |