CID 18694
4-(diethylamino)butan-2-one
Structural Information
- Molecular Formula
- C8H17NO
- SMILES
- CCN(CC)CCC(=O)C
- InChI
- InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
- InChIKey
- XLEOCTUCGZANAC-UHFFFAOYSA-N
- Compound name
- 4-(diethylamino)butan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 144.13829 | 133.6 |
[M+Na]+ | 166.12023 | 143.0 |
[M+NH4]+ | 161.16483 | 141.5 |
[M+K]+ | 182.09417 | 137.7 |
[M-H]- | 142.12373 | 133.8 |
[M+Na-2H]- | 164.10568 | 137.2 |
[M]+ | 143.13046 | 134.7 |
[M]- | 143.13156 | 134.7 |