CID 6505363
6-chloro-1-ethylcarbonyl-4-oxyimino-1,2,3,4-tetrahydroquinoline
Structural Information
- Molecular Formula
- C12H13ClN2O2
- SMILES
- CCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
- InChI
- InChI=1S/C12H13ClN2O2/c1-2-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-
- InChIKey
- ABELRHWKDXLRAR-UVTDQMKNSA-N
- Compound name
- 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.07384 | 153.7 |
[M+Na]+ | 275.05578 | 162.3 |
[M-H]- | 251.05928 | 156.7 |
[M+NH4]+ | 270.10038 | 171.5 |
[M+K]+ | 291.02972 | 157.7 |
[M+H-H2O]+ | 235.06382 | 147.5 |
[M+HCOO]- | 297.06476 | 169.2 |
[M+CH3COO]- | 311.08041 | 195.2 |
[M+Na-2H]- | 273.04123 | 158.2 |
[M]+ | 252.06601 | 154.3 |
[M]- | 252.06711 | 154.3 |