CID 16768
Diethylacetylurea
Structural Information
- Molecular Formula
- C7H14N2O2
- SMILES
- CCC(CC)C(=O)NC(=O)N
- InChI
- InChI=1S/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
- InChIKey
- JIOUJVPLJOQUFD-UHFFFAOYSA-N
- Compound name
- N-carbamoyl-2-ethylbutanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.11281 | 137.1 |
[M+Na]+ | 181.09475 | 142.2 |
[M-H]- | 157.09825 | 136.9 |
[M+NH4]+ | 176.13935 | 157.0 |
[M+K]+ | 197.06869 | 142.4 |
[M+H-H2O]+ | 141.10279 | 131.6 |
[M+HCOO]- | 203.10373 | 159.9 |
[M+CH3COO]- | 217.11938 | 182.7 |
[M+Na-2H]- | 179.08020 | 139.0 |
[M]+ | 158.10498 | 135.4 |
[M]- | 158.10608 | 135.4 |