CID 135449002
145475-35-0
Structural Information
- Molecular Formula
- C9H11ClN2O
- SMILES
- C1CCC2=C(C1)C(=O)NC(=N2)CCl
- InChI
- InChI=1S/C9H11ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13)
- InChIKey
- YOEVSDYLLYABRV-UHFFFAOYSA-N
- Compound name
- 2-(chloromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.06326 | 139.1 |
[M+Na]+ | 221.04520 | 148.4 |
[M-H]- | 197.04870 | 139.2 |
[M+NH4]+ | 216.08980 | 157.2 |
[M+K]+ | 237.01914 | 143.1 |
[M+H-H2O]+ | 181.05324 | 132.7 |
[M+HCOO]- | 243.05418 | 152.3 |
[M+CH3COO]- | 257.06983 | 151.1 |
[M+Na-2H]- | 219.03065 | 146.2 |
[M]+ | 198.05543 | 137.5 |
[M]- | 198.05653 | 137.5 |
Literature stripe
No literature data available for this compound.