CID 60707887
1-acetyl-1,4-diazepan-5-one
Structural Information
- Molecular Formula
- C7H12N2O2
- SMILES
- CC(=O)N1CCC(=O)NCC1
- InChI
- InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(11)8-3-5-9/h2-5H2,1H3,(H,8,11)
- InChIKey
- VBHHQCFPKDZJGQ-UHFFFAOYSA-N
- Compound name
- 1-acetyl-1,4-diazepan-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.09715 | 130.8 |
[M+Na]+ | 179.07909 | 138.6 |
[M+NH4]+ | 174.12369 | 136.5 |
[M+K]+ | 195.05303 | 136.2 |
[M-H]- | 155.08259 | 129.6 |
[M+Na-2H]- | 177.06454 | 134.2 |
[M]+ | 156.08932 | 131.1 |
[M]- | 156.09042 | 131.1 |
Literature stripe
No literature data available for this compound.