CID 15023857
(s)-3-methyl-1,4-diazepan-2-one
Structural Information
- Molecular Formula
- C6H12N2O
- SMILES
- C[C@H]1C(=O)NCCCN1
- InChI
- InChI=1S/C6H12N2O/c1-5-6(9)8-4-2-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
- InChIKey
- PPFMWEFKLWLFKX-YFKPBYRVSA-N
- Compound name
- (3S)-3-methyl-1,4-diazepan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 129.10224 | 123.6 |
[M+Na]+ | 151.08418 | 127.8 |
[M-H]- | 127.08768 | 122.6 |
[M+NH4]+ | 146.12878 | 140.2 |
[M+K]+ | 167.05812 | 129.8 |
[M+H-H2O]+ | 111.09222 | 116.8 |
[M+HCOO]- | 173.09316 | 139.1 |
[M+CH3COO]- | 187.10881 | 168.5 |
[M+Na-2H]- | 149.06963 | 128.5 |
[M]+ | 128.09441 | 113.7 |
[M]- | 128.09551 | 113.7 |
Literature stripe
No literature data available for this compound.