CID 98269
1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea
Structural Information
- Molecular Formula
- C12H22ClN3O2
- SMILES
- CC1CC(CC(C1)(C)C)NC(=O)N(CCCl)N=O
- InChI
- InChI=1S/C12H22ClN3O2/c1-9-6-10(8-12(2,3)7-9)14-11(17)16(15-18)5-4-13/h9-10H,4-8H2,1-3H3,(H,14,17)
- InChIKey
- VELVBXHUHDAZSG-UHFFFAOYSA-N
- Compound name
- 1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 276.14733 | 162.9 |
[M+Na]+ | 298.12927 | 167.9 |
[M-H]- | 274.13277 | 168.4 |
[M+NH4]+ | 293.17387 | 182.5 |
[M+K]+ | 314.10321 | 166.8 |
[M+H-H2O]+ | 258.13731 | 157.6 |
[M+HCOO]- | 320.13825 | 182.5 |
[M+CH3COO]- | 334.15390 | 209.9 |
[M+Na-2H]- | 296.11472 | 165.4 |
[M]+ | 275.13950 | 164.3 |
[M]- | 275.14060 | 164.3 |
Literature stripe
Patent stripe
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