CID 59117
101914-04-9
Structural Information
- Molecular Formula
- C16H27NO3
- SMILES
- CCCCCC(CC#C)(C(=O)OC1(CCNCC1)C)O
- InChI
- InChI=1S/C16H27NO3/c1-4-6-7-9-16(19,8-5-2)14(18)20-15(3)10-12-17-13-11-15/h2,17,19H,4,6-13H2,1,3H3
- InChIKey
- CVFSIFYGTFVJEQ-UHFFFAOYSA-N
- Compound name
- (4-methylpiperidin-4-yl) 2-hydroxy-2-prop-2-ynylheptanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 282.20638 | 170.2 |
[M+Na]+ | 304.18832 | 175.3 |
[M-H]- | 280.19182 | 167.3 |
[M+NH4]+ | 299.23292 | 183.4 |
[M+K]+ | 320.16226 | 170.6 |
[M+H-H2O]+ | 264.19636 | 158.6 |
[M+HCOO]- | 326.19730 | 177.6 |
[M+CH3COO]- | 340.21295 | 201.3 |
[M+Na-2H]- | 302.17377 | 171.2 |
[M]+ | 281.19855 | 162.3 |
[M]- | 281.19965 | 162.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.