CID 12377939
(z)-methyl 2-(azepan-2-ylidene)acetate
Structural Information
- Molecular Formula
- C9H15NO2
- SMILES
- COC(=O)/C=C/1\CCCCCN1
- InChI
- InChI=1S/C9H15NO2/c1-12-9(11)7-8-5-3-2-4-6-10-8/h7,10H,2-6H2,1H3/b8-7+
- InChIKey
- MDEQSBWUWZBGQO-BQYQJAHWSA-N
- Compound name
- methyl (2E)-2-(azepan-2-ylidene)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 170.11756 | 133.2 |
[M+Na]+ | 192.09950 | 135.7 |
[M-H]- | 168.10300 | 134.2 |
[M+NH4]+ | 187.14410 | 149.9 |
[M+K]+ | 208.07344 | 138.4 |
[M+H-H2O]+ | 152.10754 | 127.1 |
[M+HCOO]- | 214.10848 | 149.9 |
[M+CH3COO]- | 228.12413 | 176.4 |
[M+Na-2H]- | 190.08495 | 136.7 |
[M]+ | 169.10973 | 125.3 |
[M]- | 169.11083 | 125.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.