CID 2256
Atrazine
Structural Information
- Molecular Formula
- C8H14ClN5
- SMILES
- CCNC1=NC(=NC(=N1)Cl)NC(C)C
- InChI
- InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
- InChIKey
- MXWJVTOOROXGIU-UHFFFAOYSA-N
- Compound name
- 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 216.10106 | 147.7 |
[M+Na]+ | 238.08300 | 156.1 |
[M-H]- | 214.08650 | 147.4 |
[M+NH4]+ | 233.12760 | 162.9 |
[M+K]+ | 254.05694 | 152.4 |
[M+H-H2O]+ | 198.09104 | 139.7 |
[M+HCOO]- | 260.09198 | 164.9 |
[M+CH3COO]- | 274.10763 | 193.2 |
[M+Na-2H]- | 236.06845 | 154.0 |
[M]+ | 215.09323 | 149.2 |
[M]- | 215.09433 | 149.2 |